SCHEMBL4468968

SCHEMBL4468968

COc1cc2c(Oc3ccc(NC(=O)NCCC(C)(C)C)c(Cl)c3)ccnc2cc1OCCN1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.59
FGFR2 P21802 1/20 0.58
FLT1 P17948 6/20 0.55
FLT4 P35916 6/20 0.55
MET P08581 5/20 0.54
RIPK2 O43353 1/20 0.54
STK10 O94804 1/20 0.54
ABL1 P00519 1/20 0.54
LCK P06239 1/20 0.54
LYN P07948 1/20 0.54
RET P07949 1/20 0.54
PDGFRB P09619 1/20 0.54
KIT P10721 1/20 0.54
BCR P11274 1/20 0.54
FGFR1 P11362 1/20 0.54
SRC P12931 1/20 0.54
PDGFRA P16234 1/20 0.54
MAPK3 P27361 1/20 0.54
HTR2A P28223 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4471382 0.97 KDR (0.63) KDRFGFR2FLT1FLT4MET
SCHEMBL4487973 0.96 KDR (0.61) KDRFGFR2FLT1FLT4MET
SCHEMBL4475699 0.94 KDR (0.63) KDRFLT1FLT4
SCHEMBL4467632 0.93 KDR (0.62) KDRFLT1FLT4
SCHEMBL4487003 0.93 KDR (0.57) KDRFLT1FLT4METRIPK2
SCHEMBL4468824 0.93 KDR (0.62) KDRFLT1FLT4
SCHEMBL5203424 0.92 KDR (0.64) KDRFGFR2FLT1FLT4MET
SCHEMBL4469351 0.92 MET (0.59) KDRFGFR2METRETKIT
Hydrochloric Acid SCHEMBL4486090 0.91 MET (0.58) KDRFGFR2METRETKIT
SCHEMBL4489349 0.91 KDR (0.55) KDRFGFR2FLT1FLT4MET

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-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US claimed
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 US disclosed
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same KIRIN BEER KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
EP-1566379-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF Flt3 AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-08-24 EP disclosed
US-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2005-03-03 US disclosed
EP-1447405-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES INHIBITING AUTO-PHOSPHORYLATION OF FIBROBLAST GROWTH FACTOR RECEPTORS KIRIN BEER KABUSHIKI KAISHA (JP) 2004-08-18 EP 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-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors FGFR1, FGFR2, FGFR3 KDR 211/4885FGFR2 2/4885FLT1 115/4885
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same FLT3, TYRO3, ABL1 KDR 148/4885FGFR2 1020/4885FLT1 34/4885

“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.