SCHEMBL4670133

SCHEMBL4670133

COCCC(=O)Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 1.00
BRAF P15056 1/20 0.62
FGFR2 P21802 4/20 0.60
GSK3A P49840 3/20 0.60
GSK3B P49841 3/20 0.60
EGFR P00533 2/20 0.60
INSR P06213 1/20 0.60
PDGFRB P09619 1/20 0.60
PDGFRA P16234 1/20 0.60
FLT1 P17948 1/20 0.60
FLT4 P35916 1/20 0.60
CSNK2A2 P19784 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
CSNK2B P67870 1/20 0.53
CSNK2A1 P68400 1/20 0.53
CSNK1G2 P78368 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53

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
SCHEMBL4670496 0.90 KDR (1.00) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL4672132 0.90 KDR (0.84) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL4671969 0.86 KDR (1.00) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL14017773 0.85 KDR (0.75) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL4670122 0.85 KDR (0.82) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL14018421 0.82 KDR (0.78) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL14017769 0.81 KDR (0.75) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL4670495 0.80 KDR (0.70) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL4672944 0.79 KDR (0.69) KDRBRAFFGFR2GSK3AGSK3B
SCHEMBL4672242 0.79 KDR (0.66) KDRBRAFFGFR2GSK3AGSK3B

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-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 EP claimed
US-6710048-B2 SELECTIVE INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE; TO TREAT SOLID-TUMOR CANCERS, ANGIOGENESIS, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS, ENDOMETRIOSIS AND PSORIASIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-23 US claimed
EP-1330452-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP claimed
US-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-27 US claimed
WO-2002024681-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO claimed
EP-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 EP disclosed
EP-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 EP disclosed
US-6710048-B2 SELECTIVE INHIBITORS OF VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR TYROSINE KINASE; TO TREAT SOLID-TUMOR CANCERS, ANGIOGENESIS, DIABETIC RETINOPATHY, RHEUMATOID ARTHRITIS, ENDOMETRIOSIS AND PSORIASIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-03-23 US disclosed
EP-1330452-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-07-30 EP disclosed
US-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-27 US disclosed
WO-2002024681-A2 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-28 WO 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-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases FLT1, FLT4, KDR KDR 3/4885BRAF 5/4885FGFR2 275/4885

“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.