SCHEMBL4668545

SCHEMBL4668545

COc1cc2nccc(Oc3cc(C)c(NC(=O)Nc4nnc(C5CC5)s4)cc3C)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 17/20 0.49
KDR P35968 15/20 0.49
SRC P12931 1/20 0.47
TGFBR1 P36897 1/20 0.47
KIT P10721 2/20 0.45
FGFR2 P21802 1/20 0.45
AXL P30530 1/20 0.45
RAF1 P04049 1/20 0.45
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4669007 0.84 KDR (0.63) PDGFRAKDRSRCKITFGFR2
SCHEMBL4671997 0.83 PDGFRA (0.60) PDGFRAKDRKITAXL
SCHEMBL5201453 0.79 PDGFRA (0.70) PDGFRAKDRSRCTGFBR1KIT
SCHEMBL5240346 0.79 PDGFRA (0.74) PDGFRAKDRSRCTGFBR1KIT
SCHEMBL5208717 0.78 PDGFRA (0.76) PDGFRAKDR
SCHEMBL5207860 0.78 PDGFRA (0.73) PDGFRAKDRSRCTGFBR1KIT
SCHEMBL5201709 0.78 PDGFRA (0.64) PDGFRAKDRSRCTGFBR1KIT
SCHEMBL5824978 0.77 SRC (0.60) PDGFRAKDRSRCTGFBR1KIT
SCHEMBL4668539 0.77 KDR (0.69) PDGFRAKDRSRCKITFGFR2
SCHEMBL5825701 0.76 PDGFRA (0.54) PDGFRAKDRSRCTGFBR1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652847-B1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN PHARMA KK (JP) 2008-05-28 EP claimed
EP-1652847-A1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-03 EP claimed
EP-1652847-B1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN PHARMA KK (JP) 2008-05-28 EP disclosed
US-7211587-B2 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (KR) 2007-05-01 US disclosed
EP-1652847-A1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-03 EP disclosed
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
US-6821987-B2 4-SUBSTITUTED BY AZOLYLUREIDO-PHENOXY, OR PHENYLTHIO; ANTITUMOR AGENTS; TREATING DIABETIC RETINOPATHY, CHRONIC RHEUMATISM, PSORIASIS, ATHEROSCLEROSIS, KIRIN BEER KABUSHIKI KAISHA (JP) 2004-11-23 US disclosed
US-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2004-11-18 US disclosed
EP-1382604-A1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-21 EP disclosed
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (JP) 2003-05-08 US disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 PDGFRA 538/4885KDR 1583/4885SRC 4030/4885
US-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS PDGFRA 4104/4885KDR 3455/4885SRC 1539/4885
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS PDGFRA 4104/4885KDR 3455/4885SRC 1539/4885

“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.