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SCHEMBL110672

SCHEMBL110672

Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3ccc(OC4CCN(C)CC4)nc3[nH]2)ccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 3/20 0.55
▸ CCND1 P24385 3/20 0.55
▸ CCND3 P30281 2/20 0.55
▸ CDK6 Q00534 2/20 0.55
▸ JAK3 P52333 1/20 0.39
▸ FPR2 P25090 2/20 0.37
▸ PROKR1 Q8TCW9 2/20 0.37
▸ SLC5A7 Q9GZV3 1/20 0.35
▸ CHEK2 O96017 2/20 0.35
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ AR P10275 1/20 0.34
▸ TBK1 Q9UHD2 5/20 0.34
▸ SGK1 O00141 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL112968 0.90 CDK4 (0.52) CDK4CCND1CCND3CDK6JAK3
SCHEMBL13076282 0.89 CDK4 (0.43) CDK4CCND1CCND3CDK6JAK3
SCHEMBL111269 0.85 CDK4 (0.49) CDK4CCND1CCND3CDK6KDM4E
SCHEMBL112506 0.80 CDK4 (0.63) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111484 0.80 CDK4 (0.62) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111573 0.80 CDK4 (0.80) CDK4CCND1CCND3CDK6CDK1
SCHEMBL108753 0.79 CDK4 (0.57) CDK4CCND1CCND3CDK6CDK1
SCHEMBL111458 0.78 CDK4 (0.58) CDK4CCND1CCND3CDK6CDK1
SCHEMBL2143455 0.78 CDK4 (0.51) CDK4CCND1CCND3CDK6CDK1
SCHEMBL112413 0.77 CDK4 (0.53) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 — — 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.