SCHEMBL4370538

SCHEMBL4370538

COc1ccc2nccc(Oc3ccc4nc(N)sc4c3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C19 P33261 1/20 0.67
TP53 P04637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
DDR2 Q16832 1/20 0.49
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
MET P08581 2/20 0.47
APP P05067 2/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL371566 0.89 PDGFRB (0.63) CYP3A4CYP1A2CYP2C19TP53NPC1
SCHEMBL14396638 0.85 RAB9A (0.61) CYP3A4CYP1A2CYP2C19TP53NPC1
SCHEMBL19957105 0.82 KDR (0.65) CYP3A4CYP1A2CYP2C19DDR2PDGFRB
SCHEMBL22358 0.82 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19TP53NPC1
SCHEMBL29683488 0.82 CYP3A4 (1.00) CYP3A4CYP1A2CYP2C19TP53NPC1
Hydrochloric Acid SCHEMBL11423357 0.80 CYP3A4 (0.97) CYP3A4CYP1A2CYP2C19TP53NPC1
Hydrochloric Acid SCHEMBL11151690 0.80 CYP3A4 (0.97) CYP3A4CYP1A2CYP2C19TP53NPC1
Ammonia Solution, Strong SCHEMBL7998249 0.80 CYP3A4 (0.97) CYP3A4CYP1A2CYP2C19TP53NPC1
SCHEMBL7286497 0.79 CYP3A4 (0.82) CYP3A4CYP1A2CYP2C19TP53NPC1
SCHEMBL21186212 0.77 CYP3A4 (0.68) CYP3A4CYP1A2CYP2C19TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed
EP-1711495-A2 QUINOLINE, QUINAZOLINE, PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION, ANGIOGENESIS AND CANCER AMGEN INC. (US) 2006-10-18 EP disclosed
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma AMGEN INC. 2005-11-03 US disclosed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 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-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma HGF, MET, HGFAC CYP3A4 1110/4885CYP1A2 1075/4885CYP2C19 1531/4885

“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.