SCHEMBL7499231

SCHEMBL7499231

[c]1nc2ccccc2cc1-c1cccc2c1[nH]c1ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
KIF11 P52732 4/20 0.43
NQO2 P16083 1/20 0.40
PARP14 Q460N5 9/20 0.39
HTR2B P41595 1/20 0.39
HTR5A P47898 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
MAPK10 P53779 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
KEAP1 Q14145 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 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
SCHEMBL2187375 0.79 KMT2A (0.42) NPC1TP53POLBCASP1RAB9A
SCHEMBL5009823 0.78 BCHE (0.46) BCHEKIF11NQO2PARP14HTR2B
SCHEMBL31043048 0.76 BCHE (0.49) BCHEKIF11NQO2PARP14HTR2B
SCHEMBL980073 0.74 BCHE (0.55) BCHEKIF11PARP14HTR2BHTR5A
SCHEMBL27833818 0.74 PDGFRB (0.60) BCHEKIF11HTR2BHTR5ATDO2
SCHEMBL4722008 0.74 ALDH1A1 (0.39) NQO2NPC1TP53POLBCASP1
SCHEMBL14337505 0.73 AR (0.54) BCHEKIF11NQO2PARP14HTR2B
SCHEMBL29733506 0.72 KIF11 (0.63) BCHEKIF11PARP14GABRPGABRD
SCHEMBL208113 0.72 KIF11 (0.63) BCHEKIF11PARP14GABRPGABRD
SCHEMBL4328663 0.71 BCHE (0.47) BCHEKIF11PARP14HTR2BHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912331-B2 3,5-disubstituted-3H-imidazo[4,5-B]pyridine and 3,5-disubstituted-3H-[1,2,3]triazolo[4,5-B] pyridine compounds as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2014-12-16 US disclosed
US-20130261116-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2013-10-03 US disclosed
EP-1097155-B1 PHOTOCHROMIC SIX-MEMBERED HETEROCYCLIC-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2002-09-18 EP disclosed
EP-1097155-A2 PHOTOCHROMIC SIX-MEMBERED HETEROCYCLIC-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2001-05-09 EP disclosed
US-6153126-A Photochromic six-membered heterocyclilc-fused naphthopyrans PPG INDUSTRIES OHIO, INC. (US) 2000-11-28 US disclosed
US-6022497-A NAPHTHOPYRAN COMPOUNDS WHEN EXPOSED TO ELECTROMAGNETIC RADIATION CONTAINING ULTRAVIOLET RAYS, EXHIBIT A REVERSIBLE CHANGE IN COLOR AND WHEN ULTRAVIOLET RADIATION DISCONTINUED THE PHOTOCHROMIC COMPOUND WILL RETURN TO COLORLESS STATE PPG INDUSTRIES OHIO, INC. (US) 2000-02-08 US disclosed
WO-2000002883-A2 PHOTOCHROMIC SIX-MEMBERED HETEROCYCLIC-FUSED NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 2000-01-20 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 (1 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-20130261116-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED -3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES MAP4K2, MAP4K3, MAP3K1 BCHE 3299/4885KIF11 2854/4885NQO2 2667/4885

“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.