SCHEMBL3544284

SCHEMBL3544284

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 5/20 0.40
CCNT1 O60563 4/20 0.40
CCNA2 P20248 4/20 0.40
CDK9 P50750 4/20 0.40
CDK1 P06493 3/20 0.40
CCNB1 P14635 3/20 0.40
CDK7 P50613 3/20 0.40
CCNH P51946 3/20 0.40
CCNA1 P78396 3/20 0.40
IGF1R P08069 6/20 0.39
IDH1 O75874 2/20 0.38
PLK1 P53350 4/20 0.38
KCNH2 Q12809 2/20 0.37
CDK4 P11802 3/20 0.35
CCND3 P30281 2/20 0.35
CCND1 P24385 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 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
SCHEMBL3557779 0.92 IGF1R (0.45) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3557011 0.90 CDK2 (0.41) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3551613 0.89 CDK2 (0.42) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3554891 0.88 CDK2 (0.42) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3553941 0.88 CDK2 (0.44) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3553196 0.88 CDK2 (0.43) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3549797 0.87 CDK2 (0.41) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3543396 0.87 IGF1R (0.43) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3551373 0.87 IGF1R (0.45) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL3554916 0.84 IGF1R (0.43) CDK2CCNT1CCNA2CDK9CDK1

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 252/4885CCNA2 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.