SCHEMBL1678613

SCHEMBL1678613

Clc1cncc(Nc2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 1.00
BRAF P15056 2/20 0.54
ALDH1A1 P00352 1/20 0.52
PDGFRB P09619 5/20 0.50
PDGFRA P16234 5/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALPG P10696 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
SCN5A Q14524 2/20 0.47
SCN9A Q15858 2/20 0.47
GRM4 Q14833 1/20 0.47
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CSF1R P07333 1/20 0.43
KCNH2 Q12809 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL14308717 0.86 CDK2 (0.74) CDK2BRAFALDH1A1PDGFRBPDGFRA
SCHEMBL2885798 0.85 CDK2 (0.73) CDK2BRAFMAPTRAB9ASCN5A
SCHEMBL6662729 0.84 CDK2 (0.72) CDK2BRAFALDH1A1MEN1MAPT
SCHEMBL1121971 0.82 CDK2 (0.70) CDK2BRAFPDGFRBPDGFRA
SCHEMBL6302354 0.81 CDK2 (0.69) CDK2BRAFALDH1A1MEN1MAPT
SCHEMBL6661698 0.81 CDK2 (0.69) CDK2BRAFALDH1A1MEN1MAPT
SCHEMBL2932811 0.80 CDK2 (0.66) CDK2BRAFMAPTKMT2ARAB9A
SCHEMBL6662179 0.80 CDK2 (0.66) CDK2BRAFMEN1MAPTKMT2A
SCHEMBL1122444 0.79 CDK2 (0.65) CDK2BRAFALDH1A1PDGFRBPDGFRA
SCHEMBL16739547 0.78 CDK2 (0.63) CDK2BRAFSCN5ASCN9AKCNH2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO claimed
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 US disclosed
US-8329737-B2 Benzimidazoles as selective kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2012-12-11 US disclosed
EP-1704145-B1 SELECTIVE KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2012-06-13 EP disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 US disclosed
US-20110082142-A1 SELECTIVE KINASE INHIBITORS CYTOPIA RESEARCH PTY LTD (AU) 2011-04-07 US disclosed
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 WO disclosed
CN-100465173-C Selective kinase inhibitors CYTOPIA RES PTY LTD (AU) 2009-03-04 CN disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 US disclosed
US-20080207613-A1 Selective Kinase Inhibitors CYTOPIA RESEARCH PTY LTD (AU) 2008-08-28 US disclosed
CN-1906190-A Selective kinase inhibitors CYTOPIA RES PTY LTD (AU) 2007-01-31 CN disclosed
WO-2004004730-A2 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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 (3 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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 CDK2 67/4885BRAF 73/4885ALDH1A1 4322/4885
US-20110082142-A1 SELECTIVE KINASE INHIBITORS LCK, CHUK, CSK CDK2 69/4885BRAF 5/4885ALDH1A1 4573/4885
US-20080207613-A1 Selective Kinase Inhibitors LCK, CHUK, CSK CDK2 69/4885BRAF 5/4885ALDH1A1 4573/4885

“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.