SCHEMBL8296015

SCHEMBL8296015

N[C@H]1CC[C@H](NC(=O)c2n[nH]cc2NC(=O)c2c(F)cccc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.64
CCNA2 P20248 8/20 0.64
CDK1 P06493 5/20 0.64
CCNB1 P14635 5/20 0.64
CCNA1 P78396 1/20 0.49
SMYD3 Q9H7B4 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
WNT1 P04628 1/20 0.39
DYRK1A Q13627 1/20 0.39

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
SCHEMBL8221113 1.00 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8214922 0.90 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL4288778 0.90 CDK2 (0.61) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8261124 0.89 CDK2 (0.52) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL1286713 0.89 CDK2 (0.63) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8261096 0.89 CDK2 (0.51) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8224826 0.89 CDK2 (0.51) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL953763 0.88 CDK2 (0.51) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL954758 0.88 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8221962 0.87 CDK2 (0.50) 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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed
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-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
EP-2256106-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) 2015-05-06 EP 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-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-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
US-8404718-B2 Combinations of pyrazole kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2013-03-26 US disclosed
US-20090263398-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-22 US disclosed
US-20090036435-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2009-02-05 US disclosed
US-20090036435-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2009-02-05 US disclosed
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide ASTEX THERAPEUTICS, LTD. (GB) 2008-10-30 US disclosed
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide ASTEX THERAPEUTICS, LTD. (GB) 2008-10-30 US disclosed
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2008-08-21 US disclosed
US-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth ASTEX THERAPEUTICS, LTD. (GB) 2008-08-21 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-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-20090036435-A1 Pharmaceutical Compounds CDK9, CDK4, CDK19 CDK2 20/4885CCNA2 38/4885CDK1 8/4885
US-20080269207-A1 Anticancer agents; such as 4-acetylamino-1H-pyrazole-3-carboxylic acid (4-fluoro-phenyl)-amide CDK1, CDK4, CDK3 CDK2 7/4885CCNA2 40/4885CDK1 1/4885
US-20090263398-A1 PHARMACEUTICAL COMBINATIONS HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A4 CDK2 2256/4885CCNA2 1668/4885CDK1 937/4885
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-20080200509-A1 Utilizing such as 4-(2,6-dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide against cancer growth CDK3, CDK4, CDK1 CDK2 4/4885CCNA2 23/4885CDK1 3/4885

“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.