SCHEMBL1121971

SCHEMBL1121971

Clc1cccc(Nc2cncc(Cl)n2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.70
KDR P35968 14/20 0.60
PDGFRB P09619 2/20 0.55
PDGFRA P16234 2/20 0.55
BRAF P15056 1/20 0.54
EGFR P00533 3/20 0.52
FGFR2 P21802 3/20 0.52
GSK3A P49840 2/20 0.52
GSK3B P49841 2/20 0.52
INSR P06213 1/20 0.52
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
HTR3E A5X5Y0 1/20 0.51
HTR3B O95264 1/20 0.51
HTR3A P46098 1/20 0.51
ROCK1 Q13464 1/20 0.51
HTR3D Q70Z44 1/20 0.51
HTR3C Q8WXA8 1/20 0.51
ERBB3 P21860 1/20 0.51
CDK1 P06493 2/20 0.50

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
SCHEMBL6662179 0.84 CDK2 (0.66) CDK2KDRBRAF
SCHEMBL1678613 0.82 CDK2 (1.00) CDK2PDGFRBPDGFRABRAF
SCHEMBL4996034 0.81 KDR (0.74) KDRPDGFRBPDGFRABRAFEGFR
SCHEMBL3956894 0.80 KDR (0.54) CDK2KDRPDGFRBPDGFRABRAF
SCHEMBL4014599 0.80 CDK2 (0.60) CDK2KDRBRAFEGFRFLT1
SCHEMBL21257473 0.80 CDK2 (0.60) CDK2KDRPDGFRBPDGFRABRAF
SCHEMBL1122025 0.79 KDR (0.70) KDRPDGFRBPDGFRABRAFEGFR
SCHEMBL2885798 0.79 CDK2 (0.73) CDK2KDRBRAFEGFRERBB3
SCHEMBL6655254 0.78 CDK2 (0.71) CDK2KDREGFRROCK1ERBB3
SCHEMBL6662729 0.78 CDK2 (0.72) CDK2KDRBRAFGSK3AGSK3B

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-1831184-B1 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS WELLCOME TRUST LTD (GB) 2011-02-09 EP disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
US-7737152-B2 6-carboaryl-oxy-pyrazin-2-yl-carboaryl-amines and compositions comprising said compounds THE WELLCOME TRUST LIMITED (GB) 2010-06-15 US disclosed
EP-1330452-B1 PYRAZINE DERIVATIVES AS MODULATORS OF TYROSINE KINASES ORTHO MCNEIL PHARM INC (US) 2008-11-26 EP disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
US-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds THE WELLCOME TRUST LIMITED (UK) 2008-01-17 US disclosed
EP-1831184-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS The Wellcome Trust Limited (GB) 2007-09-12 EP disclosed
WO-2006067466-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS THE WELLCOME TRUST LIMITED (GB) 2006-06-29 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-20080015191-A1 Pyrazines and Pyridines and Derivatives Thereof as Therapeutic Compounds BRAF, RAF1, BCOR CDK2 57/4885KDR 1388/4885PDGFRB 2904/4885

“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.