SCHEMBL4672944

SCHEMBL4672944

O=C(Nc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1)c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.69
BRAF P15056 1/20 0.61
GSK3A P49840 3/20 0.61
GSK3B P49841 3/20 0.61
INSR P06213 2/20 0.61
FGFR2 P21802 3/20 0.59
EGFR P00533 2/20 0.59
PDGFRB P09619 1/20 0.59
PDGFRA P16234 1/20 0.59
FLT1 P17948 1/20 0.59
FLT4 P35916 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
LMNA P02545 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL4672242 0.84 KDR (0.66) KDRBRAFGSK3AGSK3BINSR
SCHEMBL4671969 0.82 KDR (1.00) KDRBRAFGSK3AGSK3BINSR
SCHEMBL14880012 0.79 MEN1 (0.89) BRAFMEN1KMT2ALMNATP53
SCHEMBL4670133 0.79 KDR (1.00) KDRBRAFGSK3AGSK3BINSR
SCHEMBL4670094 0.78 KDR (0.70) KDRBRAFGSK3AGSK3BINSR
SCHEMBL4670496 0.78 KDR (1.00) KDRBRAFGSK3AGSK3BINSR
SCHEMBL4670122 0.77 KDR (0.82) KDRBRAFGSK3AGSK3BINSR
SCHEMBL4672132 0.77 KDR (0.84) KDRBRAFGSK3AGSK3BINSR
SCHEMBL14018421 0.76 KDR (0.78) KDRBRAFGSK3AGSK3BINSR
SCHEMBL1121940 0.76 BRAF (1.00) KDRBRAF

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
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
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 5/4885GSK3A 1200/4885

“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.