SCHEMBL5652897

SCHEMBL5652897

COc1cc2ncnc(Oc3ccc(NC(=O)Nc4cc(C)on4)cc3Cl)c2cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.75
KDR P35968 10/20 0.69
FLT3 P36888 3/20 0.64
RAF1 P04049 3/20 0.61
PDGFRA P16234 2/20 0.58
FLT1 P17948 3/20 0.58
FLT4 P35916 2/20 0.58
RIPK2 O43353 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
KIT P10721 2/20 0.56
BCR P11274 2/20 0.56
EPHA2 P29317 2/20 0.56
ABL2 P42684 2/20 0.56
FRK P42685 2/20 0.56
EPHA5 P54756 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
SCHEMBL5651351 0.88 BRAF (0.81) BRAFKDRRAF1PDGFRAFLT1
SCHEMBL5655643 0.86 KDR (0.61) BRAFKDRFLT3RAF1PDGFRA
SCHEMBL1011946 0.85 BRAF (1.00) BRAFKDRFLT3RAF1FLT1
SCHEMBL5653965 0.84 KDR (0.78) BRAFKDRFLT3PDGFRAFLT1
SCHEMBL1780247 0.81 BRAF (1.00) BRAFKDRFLT3RAF1FLT1
SCHEMBL24520229 0.81 KDR (0.74) BRAFKDRFLT3PDGFRAFLT1
SCHEMBL5652179 0.81 KDR (0.61) BRAFKDRRAF1PDGFRAFLT1
SCHEMBL4669935 0.81 KDR (0.61) BRAFKDRRAF1PDGFRAFLT1
SCHEMBL4668940 0.81 KDR (0.63) BRAFKDRRAF1PDGFRAFLT1
SCHEMBL1780469 0.80 BRAF (0.84) BRAFKDRRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211587-B2 Quinoline derivatives and quinazoline derivatives having azolyl group KIRIN BEER KABUSHIKI KAISHA (KR) 2007-05-01 US claimed
EP-1652847-A1 Quinoline and quinazoline derivatives for the treatment of tumors KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-03 EP claimed
EP-1382604-B1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BREWERY (JP) 2005-12-28 EP claimed
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
EP-1382604-B1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BREWERY (JP) 2005-12-28 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 BRAF 402/4885KDR 3455/4885FLT3 83/4885
US-20030087907-A1 Quinoline derivatives and quinazoline derivatives having azolyl group NQO2, H1-5, NRAS BRAF 402/4885KDR 3455/4885FLT3 83/4885

“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.