SCHEMBL3550095

SCHEMBL3550095

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(S(C)(=O)=O)cccn23)n1)c1cccc(NC2CCN(C)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.37
CCNT1 O60563 6/20 0.37
CDK1 P06493 6/20 0.37
CCNB1 P14635 6/20 0.37
CDK7 P50613 6/20 0.37
CDK9 P50750 6/20 0.37
CCNH P51946 6/20 0.37
CCNA2 P20248 4/20 0.37
BRD4 O60885 3/20 0.37
PLK1 P53350 4/20 0.36
IGF1R P08069 2/20 0.35
HTR6 P50406 1/20 0.35
RPS6KB1 P23443 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CCND3 P30281 2/20 0.33
MNAT1 P51948 2/20 0.33
CDK6 Q00534 2/20 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
SCHEMBL3550762 0.89 CDK2 (0.39) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3554818 0.89 CDK2 (0.38) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3547042 0.89 IGF1R (0.39) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3554840 0.88 CDK2 (0.37) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3551217 0.88 MAPK9 (0.40) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3551067 0.87 PLK1 (0.38) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3558476 0.86 CDK2 (0.35) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3554422 0.85 PLK1 (0.38) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3560355 0.83 PLK1 (0.38) CDK2CCNT1CDK1CCNB1CDK7
SCHEMBL3543398 0.83 CCNT1 (0.37) CDK2CCNT1CDK1CCNB1CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A CDK2 72/4885CCNT1 252/4885CDK1 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.