SCHEMBL3555012

SCHEMBL3555012

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccc(N5CCN(C(=O)C(F)(F)F)CC5)cc4)ncc3C#N)cnc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.44
CDK2 P24941 7/20 0.44
CDK7 P50613 5/20 0.39
CCNH P51946 5/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
FLT3 P36888 4/20 0.39
MNAT1 P51948 3/20 0.39
CCNE1 P24864 2/20 0.39
CCNT1 O60563 2/20 0.39
CCNA2 P20248 2/20 0.39
CDK9 P50750 2/20 0.39
CCNA1 P78396 2/20 0.39
TP53 P04637 1/20 0.39
PLK1 P53350 1/20 0.37
P2RY12 Q9H244 1/20 0.36
IDH1 O75874 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL3552586 0.93 IGF1R (0.44) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3555421 0.92 IGF1R (0.48) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3554792 0.92 IGF1R (0.44) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3556362 0.92 IGF1R (0.45) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3559556 0.91 IGF1R (0.43) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3555436 0.91 IGF1R (0.51) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3551373 0.90 IGF1R (0.45) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3557009 0.89 IGF1R (0.43) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3553941 0.85 CDK2 (0.44) IGF1RCDK2CDK7CCNHCDK1
SCHEMBL3554402 0.85 IGF1R (0.48) IGF1RCDK2CDK7CCNHCDK1

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 72/4885CDK7 135/4885

“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.