SCHEMBL3553196

SCHEMBL3553196

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Br)cccn23)n1)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.43
CDK9 P50750 5/20 0.43
CCNA2 P20248 5/20 0.43
CCNT1 O60563 4/20 0.43
CDK1 P06493 4/20 0.43
CCNB1 P14635 4/20 0.43
CDK7 P50613 4/20 0.43
CCNH P51946 4/20 0.43
CCNA1 P78396 3/20 0.43
PLK1 P53350 3/20 0.41
IDH1 O75874 2/20 0.39
IGF1R P08069 4/20 0.39
CDK4 P11802 4/20 0.38
CCND3 P30281 2/20 0.38
KCNH2 Q12809 2/20 0.37
CCND1 P24385 2/20 0.37
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
MNAT1 P51948 1/20 0.35
SOS1 Q07889 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
SCHEMBL3553941 0.92 CDK2 (0.44) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3551613 0.91 CDK2 (0.42) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3543396 0.91 IGF1R (0.43) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3554891 0.91 CDK2 (0.42) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3549797 0.90 CDK2 (0.41) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3557779 0.90 IGF1R (0.45) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3557011 0.89 CDK2 (0.41) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3554916 0.88 IGF1R (0.43) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3544284 0.88 CDK2 (0.40) CDK2CDK9CCNA2CCNT1CDK1
SCHEMBL3552586 0.85 IGF1R (0.44) CDK2CDK9CCNA2CCNT1CDK1

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 72/4885CDK9 36/4885CCNA2 438/4885

“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.