SCHEMBL4670192

SCHEMBL4670192

Cc1cc(-c2cncc(NCCCO)c2)nc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.70
FGFR2 P21802 3/20 0.70
GSK3A P49840 3/20 0.70
GSK3B P49841 3/20 0.70
EGFR P00533 2/20 0.70
INSR P06213 2/20 0.70
PDGFRB P09619 1/20 0.70
PDGFRA P16234 1/20 0.70
FLT1 P17948 1/20 0.70
FLT4 P35916 1/20 0.70
CDK1 P06493 5/20 0.66
NPC1 O15118 1/20 0.52
CCNT1 O60563 1/20 0.52
MAPT P10636 1/20 0.52
CDK4 P11802 1/20 0.52
CCNB1 P14635 1/20 0.52
XBP1 P17861 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CCNE1 P24864 1/20 0.52

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
SCHEMBL4670174 0.83 KDR (1.00) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL14018401 0.81 ABL1 (0.52) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL4670452 0.81 KDR (1.00) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL2856333 0.79 KDR (1.00) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL4670503 0.79 KDR (0.77) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL4670165 0.78 CDK1 (1.00) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL4672445 0.77 KDR (0.73) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL4670527 0.77 KDR (1.00) KDRFGFR2GSK3AGSK3BEGFR
SCHEMBL3513951 0.76 KDM4E (0.59) KDRNPC1MAPTHTTRAB9A
SCHEMBL10059337 0.74 CDK1 (0.81) KDRFGFR2GSK3AGSK3BEGFR

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 9 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
US-20030060629-A1 Pyrazine derivatives as modulators of tyrosine kinases ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-03-27 US 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 3/4885FGFR2 275/4885GSK3A 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.