SCHEMBL331909

SCHEMBL331909

Cc1nc(Cl)c2c(F)ccc(F)c2n1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TNKS O95271 1/20 0.31
PARP1 P09874 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PDK2 Q15119 2/20 0.31
PDK4 Q16654 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR2 O15552 1/20 0.30
MAPT P10636 1/20 0.30
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2714069 0.74 TNKS (0.31) TNKSPARP1TNKS2
SCHEMBL14842829 0.73 PARP1 (0.47) TDP1KMT2AHPGDALDH1A1PARP1
SCHEMBL14842961 0.73 SSTR4 (0.39) TDP1KMT2AALDH1A1PARP1MEN1
SCHEMBL25175974 0.73 TDP1 (0.39) TDP1KMT2AHPGDALDH1A1MEN1
SCHEMBL6586731 0.71 MAPT (0.46) KMT2AMEN1MAPT
SCHEMBL29937089 0.68 APP (0.31)
SCHEMBL24815914 0.68 HTR2A (0.34)
SCHEMBL3209981 0.67 ALDH1A1 (0.38) KMT2AHPGDALDH1A1MEN1SMN1; SMN2
SCHEMBL19667434 0.67 PDK2 (0.44) PDK2PDK4
SCHEMBL25328584 0.66 ALDH1A1 (0.41) KMT2AHPGDALDH1A1MEN1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097627-B2 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-01-17 US disclosed
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2010-06-10 US disclosed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US disclosed
US-7442794-B2 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2008-10-28 US disclosed
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2008-06-26 US disclosed
EP-1786823-B1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-01-16 EP disclosed
EP-1861379-A1 TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-05 EP disclosed
EP-1786823-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-05-23 EP disclosed
WO-2006027236-A1 ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-03-16 WO disclosed
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-08 US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
WO-2005035518-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 TDP1 4270/4885KMT2A 4724/4885HPGD 53/4885
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B TDP1 2818/4885KMT2A 4240/4885HPGD 34/4885
US-20080153859-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B TDP1 2818/4885KMT2A 4240/4885HPGD 34/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES TDP1 2179/4885KMT2A 4643/4885HPGD 18/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B TDP1 2818/4885KMT2A 4240/4885HPGD 34/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 TDP1 3643/4885KMT2A 4704/4885HPGD 171/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES TDP1 2646/4885KMT2A 4630/4885HPGD 24/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES TDP1 2179/4885KMT2A 4643/4885HPGD 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.