SCHEMBL4668539

SCHEMBL4668539

COc1cc2nccc(Oc3ccc(NC(=O)Nc4nnc(C)s4)c(C)c3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.69
PDGFRA P16234 18/20 0.69
KIT P10721 3/20 0.60
AXL P30530 2/20 0.60
FGFR2 P21802 2/20 0.60
RIPK2 O43353 2/20 0.56
STK10 O94804 2/20 0.56
ABL1 P00519 2/20 0.56
LCK P06239 2/20 0.56
LYN P07948 2/20 0.56
RET P07949 2/20 0.56
MET P08581 2/20 0.56
PDGFRB P09619 2/20 0.56
SRC P12931 2/20 0.56
FLT1 P17948 2/20 0.56
FLT4 P35916 2/20 0.56
FLT3 P36888 2/20 0.56
ABL2 P42684 2/20 0.56
FRK P42685 2/20 0.56
DDR1 Q08345 2/20 0.56

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
SCHEMBL4670090 0.91 KDR (0.74) KDRPDGFRAKITAXLFGFR2
SCHEMBL4668490 0.90 KDR (0.65) KDRPDGFRAKITAXLFGFR2
SCHEMBL4668548 0.88 PDGFRA (0.74) KDRPDGFRA
SCHEMBL4669699 0.86 PDGFRA (0.53) KDRPDGFRAKITAXLFGFR2
SCHEMBL4668541 0.83 PDGFRA (0.58) KDRPDGFRAMETFLT3
SCHEMBL13627264 0.82 KDR (0.64) KDRPDGFRAKITAXLFGFR2
SCHEMBL4668527 0.80 KDR (0.70) KDRPDGFRAKITAXLFGFR2
SCHEMBL4669905 0.80 KDR (0.65) KDRPDGFRAKITAXLFGFR2
SCHEMBL4668520 0.80 KDR (0.70) KDRPDGFRAKITAXLFGFR2
SCHEMBL4669930 0.80 KDR (0.70) KDRPDGFRAKITAXLFGFR2

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 9 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040229876-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS KDR 3455/4885PDGFRA 4104/4885KIT 2254/4885
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS KDR 3455/4885PDGFRA 4104/4885KIT 2254/4885

“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.