SCHEMBL3557015

SCHEMBL3557015

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(C(F)F)cccn23)n1)c1cccc(C(=O)N2CCN(C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.45
CCNT1 O60563 6/20 0.45
CDK9 P50750 6/20 0.45
CDK1 P06493 6/20 0.45
CCNB1 P14635 4/20 0.45
CCNA2 P20248 4/20 0.45
CDK7 P50613 4/20 0.45
CCNH P51946 4/20 0.45
CCNA1 P78396 1/20 0.39
IGF1R P08069 2/20 0.38
SOS1 Q07889 1/20 0.36
PLK1 P53350 1/20 0.36
CCNE1 P24864 1/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KCNH2 Q12809 1/20 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
SCHEMBL3551209 0.88 GUCY1B2 (0.38) CDK2IGF1RPLK1
SCHEMBL3555390 0.87 PLK1 (0.38) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL3549665 0.84 CDK1 (0.40) CDK1PLK1
SCHEMBL3554840 0.84 CDK2 (0.37) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL3549633 0.83 PLK1 (0.38) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL3552038 0.83 PLK1 (0.42) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL3556289 0.82 PLK1 (0.39) CDK2IGF1RSOS1PLK1PIK3CD
SCHEMBL3546784 0.82 PLK1 (0.45) CDK2CDK1IGF1RPLK1IDH1
SCHEMBL3558476 0.82 CDK2 (0.35) CDK2CCNT1CDK9CDK1CCNB1
SCHEMBL3557835 0.81 PLK1 (0.37) CDK2CCNT1CDK9CDK1CCNB1

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 252/4885CDK9 36/4885

“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.