SCHEMBL550215

SCHEMBL550215

CCCC#Cc1ccccc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.61
CYP1A2 P05177 4/20 0.61
CYP2C9 P11712 4/20 0.61
CYP2C19 P33261 4/20 0.61
KDM4E B2RXH2 4/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
TLR8 Q9NR97 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
HSP90AA1 P07900 1/20 0.41
NTSR1 P30989 1/20 0.41
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL29984901 1.00 CYP3A4 (0.61) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL31026506 0.89 CYP3A4 (0.67) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7833889 0.89 CYP3A4 (0.67) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL6693749 0.87 CYP3A4 (0.70) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL31333138 0.85 CYP3A4 (0.68) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29386254 0.85 CYP3A4 (0.68) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3978730 0.83 CYP3A4 (0.55) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL23908785 0.80 CYP3A4 (0.77) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30727473 0.80 CYP3A4 (0.77) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL30947333 0.78 CYP3A4 (0.69) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 US disclosed
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 US disclosed
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-12-08 US disclosed
EP-3089977-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-11-09 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
WO-2015102426-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-07-09 WO disclosed
US-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
EP-2225227-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009065920-A2 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 WO disclosed
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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 (3 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA CYP3A4 1782/4885CYP1A2 2207/4885CYP2C9 1861/4885
US-20090069299-A1 Pyrazolo[3,4-c]Quinolines, Pyrazolo[3,4-c]Naphthyridines, Analogs Thereof, and Methods IL4, IL2, IL5 CYP3A4 155/4885CYP1A2 398/4885CYP2C9 851/4885
US-20160355475-A1 NOVEL INDOLE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC2, HDAC1, HDAC3 CYP3A4 1064/4885CYP1A2 1743/4885CYP2C9 1687/4885

“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.