SCHEMBL956928

SCHEMBL956928

O=C(Nc1ccc(F)cc1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 6/20 0.60
CDK2 P24941 6/20 0.60
CCNB1 P14635 5/20 0.60
CCNA2 P20248 5/20 0.60
CCNA1 P78396 1/20 0.60
JAK2 O60674 2/20 0.51
JAK1 P23458 2/20 0.51
TYK2 P29597 2/20 0.51
HTT P42858 1/20 0.51
NOD2 Q9HC29 1/20 0.51
CDK14 O94921 4/20 0.47
CCNY Q8ND76 4/20 0.47
RAB9A P51151 2/20 0.46
LMNA P02545 3/20 0.46
AURKB Q96GD4 2/20 0.45
DYRK3 O43781 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45

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
SCHEMBL8219200 0.93 CDK1 (0.53) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL8221792 0.87 RAB9A (0.51) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL955495 0.86 LMNA (0.66) HTTRAB9ALMNAMEN1KMT2A
SCHEMBL953730 0.85 MEN1 (0.58) CDK14CCNYRAB9ALMNADYRK3
SCHEMBL955330 0.84 PTPN1 (0.56) CDK2CCNA2CDK14CCNYRAB9A
SCHEMBL12962933 0.84 RAB9A (0.72) HTTRAB9AFLT3MEN1KMT2A
SCHEMBL954639 0.84 RAB9A (0.64) CDK2CCNA2CDK14CCNYRAB9A
SCHEMBL1286751 0.83 LMNA (0.70) JAK2JAK1TYK2HTTNOD2
SCHEMBL3587804 0.83 MEN1 (0.47) CDK1CDK2CCNB1CCNA2CCNA1
SCHEMBL955039 0.83 MEN1 (0.49) CDK1CDK2CCNB1CCNA2CCNA1

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 36 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
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-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-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-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-20080161355-A1 Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-20080161251-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2008-07-03 US disclosed
US-20080161251-A1 Pharmaceutical Compounds 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-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-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 CDK1 7/4885CDK2 41/4885CCNB1 498/4885
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 CDK1 2/4885CDK2 6/4885CCNB1 42/4885
US-20080161251-A1 Pharmaceutical Compounds HRH4, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR4A1 CDK1 49/4885CDK2 283/4885CCNB1 453/4885
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 CDK1 1/4885CDK2 6/4885CCNB1 45/4885
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 CDK1 3/4885CDK2 4/4885CCNB1 49/4885

“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.