SCHEMBL3554840

SCHEMBL3554840

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.37
CDK1 P06493 5/20 0.37
CCNT1 O60563 4/20 0.37
CCNB1 P14635 4/20 0.37
CCNA2 P20248 4/20 0.37
CDK7 P50613 4/20 0.37
CDK9 P50750 4/20 0.37
CCNH P51946 4/20 0.37
PLK1 P53350 4/20 0.37
IGF1R P08069 2/20 0.35
JUN P05412 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
BRD4 O60885 1/20 0.32
MAPK1 P28482 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2A1 P68400 1/20 0.32
IDH2 P48735 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL3558476 0.97 CDK2 (0.35) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3543384 0.94 PLK1 (0.36) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3549633 0.94 PLK1 (0.38) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3548394 0.93 PLK1 (0.38) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3551936 0.93 CDK2 (0.35) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3546183 0.92 KDM4E (0.37) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3550649 0.92 CDK2 (0.34) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3550765 0.91 PLK1 (0.36) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3554818 0.91 CDK2 (0.38) CDK2CDK1CCNT1CCNB1CCNA2
SCHEMBL3550762 0.91 CDK2 (0.39) CDK2CDK1CCNT1CCNB1CCNA2

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 72/4885CDK1 2/4885CCNT1 252/4885

“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.