SCHEMBL3557779

SCHEMBL3557779

COc1cccn2c(-c3nc(N[C@@H](C)c4ccc(N5CCNCC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.45
CDK2 P24941 4/20 0.45
KCNH2 Q12809 2/20 0.43
CDK1 P06493 3/20 0.41
CCNB1 P14635 3/20 0.41
CCNT1 O60563 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNH P51946 2/20 0.41
CCNA1 P78396 2/20 0.41
PLK1 P53350 2/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 1/20 0.39
CCNE1 P24864 1/20 0.39
IDH1 O75874 2/20 0.38
CCND3 P30281 1/20 0.37
CHEK1 O14757 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
SCHEMBL3544284 0.92 CDK2 (0.40) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3553196 0.90 CDK2 (0.43) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3553941 0.90 CDK2 (0.44) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3543396 0.89 IGF1R (0.43) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3551613 0.89 CDK2 (0.42) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3554891 0.88 CDK2 (0.42) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3549797 0.88 CDK2 (0.41) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3557011 0.87 CDK2 (0.41) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3548792 0.87 CDK2 (0.42) IGF1RCDK2KCNH2CDK1CCNB1
SCHEMBL3554916 0.86 IGF1R (0.43) IGF1RCDK2CDK1CCNB1CCNT1

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 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.