SCHEMBL4469958

SCHEMBL4469958

COc1cc2c(Oc3ccc(NC(=O)NCCC(C)(C)C)c(F)c3)ccnc2cc1OCCN(C)CCO

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.59
PDGFRA P16234 8/20 0.59
AXL P30530 6/20 0.59
FGFR2 P21802 4/20 0.59
KIT P10721 2/20 0.59
MET P08581 4/20 0.48
HDAC1 Q13547 1/20 0.48
EGFR P00533 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
SRC P12931 1/20 0.47
MST1R Q04912 1/20 0.47

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
SCHEMBL4467319 0.96 KDR (0.58) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4473662 0.92 KDR (0.57) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4476947 0.91 KDR (0.55) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4465462 0.90 KDR (0.56) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4465227 0.89 PDGFRA (0.72) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4474546 0.89 FGFR2 (0.68) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4473525 0.89 PDGFRA (0.59) KDRPDGFRAFGFR2KITMET
SCHEMBL13955472 0.89 KDR (0.65) KDRPDGFRAAXLFGFR2KIT
Hydrochloric Acid SCHEMBL5097587 0.89 PDGFRA (0.71) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4468211 0.88 FGFR2 (0.65) KDRPDGFRAAXLFGFR2KIT

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 6 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-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-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 (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-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors FGFR1, FGFR2, FGFR3 KDR 211/4885PDGFRA 372/4885AXL 40/4885

“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.