SCHEMBL4904960

SCHEMBL4904960

Nc1ccc(Cl)c(-c2cnc3ccccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
TLR9 Q9NR96 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.49
ADORA3 P0DMS8 5/20 0.47
ADORA1 P30542 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK10 P53779 2/20 0.46
MEN1 O00255 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
PLA2G7 Q13093 1/20 0.41
BCHE P06276 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL28110239 0.84 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ADORA3ADORA1
SCHEMBL15668222 0.82 MAPT (0.50) NPC1RAB9ATLR9SMN1; SMN2MAPT
SCHEMBL27985386 0.81 MEN1 (0.52) NPC1RAB9ASMN1; SMN2ADORA3ADORA1
SCHEMBL27160228 0.80 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ADORA3ADORA1
SCHEMBL15668407 0.79 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL28110839 0.77 RAB9A (0.44) NPC1RAB9ASMN1; SMN2ADORA3ADORA1
SCHEMBL4905327 0.76 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL28024203 0.76 RAB9A (0.47) NPC1RAB9ATLR9SMN1; SMN2MAPT
SCHEMBL15668562 0.75 EGFR (0.51) NPC1RAB9ATLR9SMN1; SMN2MAPT
SCHEMBL15668317 0.74 CYP1A2 (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
US-8273743-B2 N-(4-chloro-3-(quinoxalin-3-yl)phenyl)-3,5-dimethoxybenzamide; for treating malignancies CURIS, INC. (US) 2012-09-25 US disclosed
EP-1745041-B1 QUINOXALINE INHIBITORS OF THE HEDGEHOG SIGNALLING PATHWAY GENENTECH INC (US) 2012-06-20 EP disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 US disclosed
US-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling GENENTECH, INC. 2008-10-23 US disclosed
EP-1745041-A2 QUINOXALINE INHIBITORS OF THE HEDGEHOG SIGNALLING PATHWAY Genentech, Inc. (US) 2007-01-24 EP disclosed
WO-2006078283-A2 QUINOXALINE INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-07-27 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-20080261989-A1 Quinoxaline Inhibitors of the Hedgehog Signalling SHH, NR4A2, NR4A3 NPC1 2120/4885RAB9A 2425/4885TLR9 4356/4885

“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.