SCHEMBL3532428

SCHEMBL3532428

Nc1cc(F)cc2c1CNC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.46
▸ PIK3CD O00329 4/20 0.44
▸ PIK3CB P42338 4/20 0.44
▸ PIK3CA P42336 3/20 0.44
▸ MET P08581 1/20 0.40
▸ PARP1 P09874 2/20 0.39
▸ PARP10 Q53GL7 1/20 0.39
▸ GRM5 P41594 2/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ ROCK1 Q13464 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ FABP6 P51161 1/20 0.36
▸ PIK3CG P48736 2/20 0.35
▸ KDR P35968 1/20 0.35
▸ TGM2 P21980 1/20 0.34

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
SCHEMBL18863211 0.82 GRM2 (0.50) GRM2PIK3CDPIK3CBPIK3CAMET
SCHEMBL29531520 0.79 PIK3CD (0.53) GRM2PIK3CDPIK3CBPIK3CAMET
SCHEMBL29222635 0.78 CLK4 (0.44) GRM2PIK3CDPIK3CBPIK3CAMET
SCHEMBL31159005 0.78 GRM2 (0.46) GRM2PIK3CDPIK3CBPIK3CAMET
SCHEMBL8169835 0.76 GRM2 (0.44) GRM2PIK3CDPIK3CBPIK3CAMET
SCHEMBL31297470 0.73 PARP10 (0.45) PIK3CDPIK3CBPIK3CAPARP1PARP10
SCHEMBL21349280 0.71 GRM2 (0.41) GRM2PIK3CDPIK3CBPIK3CAMET
SCHEMBL2060616 0.71 FABP6 (0.55) PIK3CDPIK3CBPIK3CAPARP1PARP10
SCHEMBL25994598 0.70 GRM2 (0.40) GRM2PIK3CDPIK3CBPIK3CAMET
SCHEMBL30914266 0.69 PARP1 (0.68) PIK3CDPIK3CBPIK3CAPARP1PARP10

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1670458-B1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-12-20 — — EP disclosed
EP-1670778-B1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AG (DE) 2006-11-15 — — EP disclosed
EP-1670458-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-21 — — EP disclosed
EP-1670778-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS Schering Aktiengesellschaft (DE) 2006-06-21 — — EP 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-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
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

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

For each of this compound's patents that has machine-readable text (4 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-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES GRM2 4262/4885PIK3CD 2754/4885PIK3CB 2751/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 GRM2 1776/4885PIK3CD 1878/4885PIK3CB 1612/4885
US-20050272823-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, PTGES GRM2 4114/4885PIK3CD 3129/4885PIK3CB 3240/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES GRM2 4262/4885PIK3CD 2754/4885PIK3CB 2751/4885

“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.

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