SCHEMBL110695

SCHEMBL110695

Cc1nc(C)c(-c2cc(C(=O)c3nc4ccc(N5CCC(N(C)C)CC5)cc4[nH]3)ccn2)s1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.73
CCND1 P24385 6/20 0.73
CCND3 P30281 5/20 0.71
CDK6 Q00534 5/20 0.71
CDK1 P06493 4/20 0.71
CCNB1 P14635 3/20 0.71
CDK2 P24941 7/20 0.66
CCNA2 P20248 3/20 0.66
CCNA1 P78396 3/20 0.66
AURKA O14965 3/20 0.38
AURKB Q96GD4 3/20 0.38
ATR Q13535 3/20 0.38
CDK9 P50750 2/20 0.38
CDK7 P50613 1/20 0.38
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
BRD4 O60885 2/20 0.35

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
SCHEMBL3721802 0.86 CDK4 (0.76) CDK4CCND1CCND3CDK6CDK1
SCHEMBL109487 0.85 CDK4 (0.73) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111810 0.85 CDK4 (0.83) CDK4CCND1CCND3CDK6CDK1
SCHEMBL110731 0.84 CDK4 (1.00) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2129207 0.84 CDK4 (0.78) CDK4CCND1CCND3CDK6CDK1
SCHEMBL3722180 0.84 CDK4 (0.78) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112928 0.83 CDK4 (0.72) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112736 0.83 CDK4 (0.72) CDK4CCND1CCND3CDK6CDK1
SCHEMBL110729 0.83 CDK4 (0.74) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111954 0.83 CDK4 (1.00) CDK4CCND1CCND3CDK6CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US claimed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US claimed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP claimed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 WO claimed
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US disclosed
EP-2424843-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES Novartis AG (CH) 2012-03-07 EP disclosed
WO-2010125402-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2010-11-04 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 CDK4 13/4885CCND1 30/4885CCND3 7/4885

“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.