SCHEMBL3554402

SCHEMBL3554402

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.48
CDK2 P24941 5/20 0.43
KCNH2 Q12809 6/20 0.39
CCNT1 O60563 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
CCNH P51946 2/20 0.38
CCNA1 P78396 2/20 0.38
INSR P06213 1/20 0.36

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
SCHEMBL3555421 0.92 IGF1R (0.48) IGF1RCDK2KCNH2CCNT1CDK1
SCHEMBL3555797 0.86 CDK2 (0.44) IGF1RCDK2KCNH2CCNT1CDK1
SCHEMBL3555004 0.86 IGF1R (0.41) IGF1RCDK2KCNH2
SCHEMBL3552586 0.85 IGF1R (0.44) IGF1RCDK2CCNT1CDK1CCNB1
SCHEMBL3555012 0.85 IGF1R (0.44) IGF1RCDK2CCNT1CDK1CCNB1
SCHEMBL3554792 0.84 IGF1R (0.44) IGF1RCDK2CCNT1CDK1CCNB1
SCHEMBL2199046 0.84 IGF1R (0.40) IGF1RCDK2KCNH2CDK1CDK7
SCHEMBL3556362 0.84 IGF1R (0.45) IGF1RCDK2CCNT1CDK1CCNB1
SCHEMBL3555436 0.83 IGF1R (0.51) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3559556 0.83 IGF1R (0.43) IGF1RCDK2CCNT1CDK1CCNB1

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 IGF1R 101/4885CDK2 72/4885KCNH2 2028/4885

“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.