SCHEMBL3549797

SCHEMBL3549797

CC(O)c1cccn2c(-c3nc(N[C@@H](C)c4ccc(N5CCNCC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.41
CDK1 P06493 5/20 0.41
CCNB1 P14635 5/20 0.41
CDK9 P50750 5/20 0.41
CDK7 P50613 4/20 0.41
CCNH P51946 4/20 0.41
CCNT1 O60563 4/20 0.41
CCNA2 P20248 4/20 0.41
CCNA1 P78396 3/20 0.41
IGF1R P08069 4/20 0.39
PLK1 P53350 2/20 0.39
IDH1 O75874 2/20 0.38
CDK4 P11802 3/20 0.37
CCND3 P30281 2/20 0.37
SOS1 Q07889 2/20 0.36
KCNH2 Q12809 2/20 0.35
FLT3 P36888 2/20 0.35
CCND1 P24385 1/20 0.35
MNAT1 P51948 1/20 0.35
PIM1 P11309 1/20 0.34

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
SCHEMBL3554891 0.93 CDK2 (0.42) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3553941 0.90 CDK2 (0.44) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3553196 0.90 CDK2 (0.43) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3543396 0.89 IGF1R (0.43) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3551613 0.89 CDK2 (0.42) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3554916 0.88 IGF1R (0.43) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3557779 0.88 IGF1R (0.45) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3544284 0.87 CDK2 (0.40) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3557011 0.87 CDK2 (0.41) CDK2CDK1CCNB1CDK9CDK7
SCHEMBL3552038 0.84 PLK1 (0.42) CDK2CDK1CCNB1CDK9CDK7

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 6 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 claimed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
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 2/4885CCNB1 91/4885

“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.