SCHEMBL3936062

SCHEMBL3936062

O=C(NC1CCN(C(=O)O)CC1)c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK14 O94921 18/20 0.52
CCNY Q8ND76 18/20 0.52
CDK5 Q00535 3/20 0.49
CCNT1 O60563 2/20 0.49
CDK9 P50750 2/20 0.49
CDK5R1 Q15078 2/20 0.49
CDK4 P11802 2/20 0.47
CDK2 P24941 2/20 0.47
CASK O14936 1/20 0.47
CDKL5 O76039 1/20 0.47
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNA2 P20248 1/20 0.47
MAK P20794 1/20 0.47
CDK11B P21127 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CCND3 P30281 1/20 0.47
CLK1 P49759 1/20 0.47

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
SCHEMBL8262703 0.91 CDK14 (0.52) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL8263051 0.91 CDK14 (0.52) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL8261494 0.89 CDK14 (0.53) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL1286714 0.89 CDK5 (0.53) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL8262704 0.89 CDK14 (0.48) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL24710274 0.88 CDK14 (0.49) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL23271149 0.88 CDK14 (0.68) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL24758664 0.88 EPHX2 (0.54) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL24710064 0.88 CDK14 (0.49) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL29199176 0.88 CDK14 (0.49) CDK14CCNYCDK5CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 EP disclosed
CN-101484439-A 4- (2, 6-dichloro-benzoylamino) -1H-pyrazole-3-carboxylic acid (1-methanesulfonyl-piperidin-4-yl) -amide for the treatment of cancer ASTEX THERAPEUTICS LTD (GB) 2009-07-15 CN disclosed
EP-2049106-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-22 EP disclosed
EP-2046327-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS Astex Therapeutics Limited (GB) 2009-04-15 EP disclosed
EP-2043635-A2 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-04-08 EP disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
WO-2008009954-A1 MEDICAL USE OF CYCLIN DEPENDENT KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-24 WO disclosed
WO-2008007113-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 WO disclosed
WO-2008001101-A2 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-03 WO disclosed
EP-1845975-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
EP-1846395-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK'S AND GSK'S Astex Therapeutics Limited (GB) 2007-10-24 EP disclosed
WO-2006077425-A1 COMBINATIONS OF PYRAZOLE KINASE INHIBITORS AND FURTHER ANTITUMOR AGENTS ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (1 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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 CDK14 8/4885CCNY 51/4885CDK5 39/4885

“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.