SCHEMBL1286713

SCHEMBL1286713

O=C(NC1CCCCC1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.63
CCNA2 P20248 8/20 0.63
CDK1 P06493 5/20 0.63
CCNB1 P14635 5/20 0.63
CCNA1 P78396 1/20 0.51
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 1/20 0.46
ACKR3 P25106 1/20 0.43
HIF1A Q16665 1/20 0.43
HTR2B P41595 1/20 0.41

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
SCHEMBL4288778 0.99 CDK2 (0.61) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8225001 0.90 CDK2 (0.52) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL954758 0.90 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8214922 0.90 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8221113 0.89 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8261124 0.89 CDK2 (0.52) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL1286693 0.89 CDK2 (0.50) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8296015 0.89 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL1286717 0.88 CDK2 (0.66) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL12000432 0.88 CDK2 (0.66) CDK2CCNA2CDK1CCNB1CCNA1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051278-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2015-06-09 US disclosed
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2014-12-18 US disclosed
US-8779147-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2014-07-15 US disclosed
US-8404718-B2 Combinations of pyrazole kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2013-03-26 US disclosed
EP-1651612-B9 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LTD (GB) 2012-09-05 EP disclosed
US-20120213791-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2012-08-23 US disclosed
EP-1651612-B1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LTD (GB) 2012-04-11 EP disclosed
US-8080666-B2 3,4-disubstituted 1H-pyrazole compounds and their use as cyclin dependent kinase and glycogen synthase kinase-3 modulators ASTEX THERAPEUTICS, LTD. (GB) 2011-12-20 US disclosed
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2011-01-06 US disclosed
US-20110003799-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS ASTEX THERAPEUTICS, LTD. (GB) 2011-01-06 US disclosed
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 US disclosed
US-7385059-B2 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections ASTEX THERAPEUTICS LIMITED (GB) 2008-06-10 US disclosed
WO-2008009954-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-24 WO disclosed
WO-2008007122-A2 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008007113-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2005012256-A1 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-10 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 (5 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-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ROS1, CDK9, GRK4 CDK2 41/4885CCNA2 709/4885CDK1 7/4885
US-20120213791-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK3, CDK1, CDKL3 CDK2 6/4885CCNA2 59/4885CDK1 2/4885
US-20110002879-A1 Combinations of Pyrazole Kinase Inhibitors ERBB4, GRK4, ROS1 CDK2 33/4885CCNA2 600/4885CDK1 9/4885
US-20140371213-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 CDK2 6/4885CCNA2 48/4885CDK1 1/4885
US-20110003799-A1 3,4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASE AND GLYCOGEN SYNTHASE KINASE-3 MODULATORS CDK1, CDK3, CDK13 CDK2 6/4885CCNA2 48/4885CDK1 1/4885

“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.