SCHEMBL524536

SCHEMBL524536

[c]1ccc2c(ccc3ccccc32)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2A6 P11509 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPRT1 P00492 3/20 0.44
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GPR3 P46089 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PAX8 Q06710 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1247232 0.96 HPRT1 (0.52) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL2016968 0.76 MAPT (0.64) CYP3A4ALDH1A1TSHRHIF1ACYP1B1
SCHEMBL17511895 0.76 IMPDH2 (0.40) CYP3A4ALDH1A1KDM4ELMNAMAPK1
SCHEMBL24930 0.74 LMNA (0.62) CYP3A4ALDH1A1TSHRTDP1HIF1A
SCHEMBL525523 0.73 CYP2A6 (0.44) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL2514730 0.72 GPR3 (0.50) CYP3A4KDM4EGPR3MAPTSMN1; SMN2
SCHEMBL2910 0.72 CYP1A2 (0.44) ALDH1A1HSD17B10CYP2A6TDP1KDM4E
SCHEMBL60071 0.71 MAPT (0.47) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
Phenanthrene SCHEMBL28225171 0.70 ALDH1A1 (0.75) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL7058875 0.69 CYP1A2 (0.59) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344361-A Fluorene-containing nitrogen-doped condensed ring resonance type organic compound and organic light-emitting device comprising same 江苏三月科技股份有限公司 2024-07-16 CN claimed
CN-118324788-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-07-12 CN claimed
CN-118271356-A Boron-containing organic compound and application thereof 江苏三月科技股份有限公司 2024-07-02 CN claimed
CN-118239966-A Organic electroluminescent compound and application thereof 宁波卢米蓝新材料有限公司 2024-06-25 CN claimed
WO-2024125652-A1 BORON-CONTAINING ORGANIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE PREPARED FROM SAME 华为技术有限公司 2024-06-20 WO claimed
WO-2024125653-A1 BORON-CONTAINING RESONANCE-TYPE ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 华为技术有限公司 2024-06-20 WO claimed
CN-118206576-A Boron-containing resonance type organic compound and organic electroluminescent device comprising same 华为技术有限公司 2024-06-18 CN claimed
CN-118206575-A Boron-containing organic compound and organic electroluminescent device prepared from same 华为技术有限公司 2024-06-18 CN claimed
CN-118206573-A Boron-containing organic compound containing cyclohexane carbazole ring and organic electroluminescent device prepared from same 江苏三月科技股份有限公司 2024-06-18 CN claimed
CN-118206574-A Boron-containing organic compound and organic electroluminescent device prepared from same 华为技术有限公司 2024-06-18 CN claimed
US-8557953-B2 Polymers comprising substituted anthracenyl units, blends comprising these polymers, and devices comprising these polymers or blends MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20130126855-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2013-05-23 US claimed
US-20120108731-A1 POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-05-03 US claimed
WO-2012013310-A1 POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS CONTAINING SAID POLYMERS, AND DEVICES CONTAINING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2012-02-02 WO claimed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
WO-2010149258-A1 POLYMERS COMPRISING SUBSTITUTED ANTHRACENYL UNITS, BLENDS COMPRISING SAID POLYMERS, AND DEVICE COMPRISING SAID POLYMERS OR BLENDS MERCK PATENT GMBH (DE) 2010-12-29 WO claimed
US-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-7566707-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-28 US claimed
EP-1641799-B1 IMIDAZO-PYRIDAZINONE DERIVATIVES AND IMIDAZO-PYRIDONE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2008-03-12 EP claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed

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

For each of this compound's patents that has machine-readable text (2 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-20090258856-A1 IMIDAZOPYRIDAZINONE AND IMIDAZOPYRIDONE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 CYP3A4 14/4885ALDH1A1 213/4885HSD17B10 1027/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 CYP3A4 12/4885ALDH1A1 239/4885HSD17B10 1093/4885

“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.