SCHEMBL959133

SCHEMBL959133

COc1cccc(F)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.69
CCNA2 P20248 9/20 0.69
CDK1 P06493 6/20 0.54
CCNB1 P14635 6/20 0.54
CCNA1 P78396 2/20 0.54
KDM5A P29375 1/20 0.46
CDK5 Q00535 3/20 0.45
CCNT1 O60563 2/20 0.45
CDK9 P50750 2/20 0.45
CDK5R1 Q15078 2/20 0.45
DYRK1A Q13627 2/20 0.44
WNT1 P04628 1/20 0.44
CDK14 O94921 3/20 0.43
CCNY Q8ND76 3/20 0.43
MAP4K1 Q92918 1/20 0.43
CDK4 P11802 2/20 0.43
CASK O14936 1/20 0.43
CDKL5 O76039 1/20 0.43
CCNB2 O95067 1/20 0.43
MAK P20794 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
SCHEMBL954758 0.91 CDK2 (0.64) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL1286730 0.90 CCNA2 (0.57) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8219404 0.90 CCNA2 (0.57) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL13996264 0.90 CCNA2 (0.57) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL13993615 0.90 CCNA2 (0.56) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8222518 0.89 CCNA2 (0.55) CDK2CCNA2CDK1CCNB1KDM5A
SCHEMBL12000425 0.88 CCNA2 (0.54) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL12076436 0.87 CCNA2 (0.65) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL1286740 0.86 CDK2 (0.67) CDK2CCNA2CDK1CCNB1CCNA1
SCHEMBL8261463 0.86 CDK2 (0.52) CDK2CCNA2CDK1KDM5ACDK5

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 117 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 claimed
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 claimed
US-20100179145-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-07-15 US claimed
US-20100021420-A1 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S ASTEX THERAPEUTICS LIMITED (GB) 2010-01-28 US claimed
US-20090263398-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-22 US claimed
EP-2073803-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP claimed
EP-2049106-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-22 EP claimed
EP-2046327-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS Astex Therapeutics Limited (GB) 2009-04-15 EP claimed
EP-2046330-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-15 EP claimed
EP-2043635-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-08 EP claimed
WO-2008007122-A2 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO claimed
WO-2008007113-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO claimed
WO-2008001101-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 WO claimed
EP-1845974-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP claimed
EP-1845975-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS Astex Therapeutics Limited (GB) 2007-10-24 EP claimed
EP-1845973-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2007-10-24 EP claimed
US-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide ASTEX THERAPEUTICS LIMITED (GB) 2006-08-31 US claimed
WO-2006077424-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO claimed
WO-2006077428-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO claimed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20060194843-A1 4-(2,6-Dichloro-benzoylamino)-1H-pyrazole-3-carboxylic acid piperidin-4-ylamide; anticancer agents; carcinoma of the colon; antifungal agents; antitumor agents; infections; 4-(2,6-difluoro-benzoylamino)-1H-pyrazole-3-carboxylic acid (1-methyl-piperidin-4-yl)-amide CDK1, CDK3, ROS1 CDK2 7/4885CCNA2 46/4885CDK1 1/4885
US-20100021420-A1 COMBINATIONS OF PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDKS AND GSK'S CDK9, CDK1, CDK19 CDK2 9/4885CCNA2 40/4885CDK1 2/4885
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-20100179145-A1 PHARMACEUTICAL COMBINATIONS GSK3B, CDK1, CDK6 CDK2 19/4885CCNA2 121/4885CDK1 2/4885

“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.