SCHEMBL3549229

SCHEMBL3549229

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.37
PLK1 P53350 4/20 0.36
RPS6KB1 P23443 2/20 0.35
CDK1 P06493 2/20 0.34
KDR P35968 1/20 0.34
CDK2 P24941 4/20 0.34
CCNE1 P24864 1/20 0.34
EGFR P00533 1/20 0.34
PIK3CA P42336 1/20 0.34
IGF1R P08069 3/20 0.33
CCNT1 O60563 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK9 P50750 2/20 0.33
CCNB1 P14635 1/20 0.33
CDK7 P50613 1/20 0.33
CCNH P51946 1/20 0.33
CCNA1 P78396 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
PTK2 Q05397 2/20 0.32

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
SCHEMBL3554854 0.88 PLK1 (0.36) IDH1PLK1RPS6KB1CDK1KDR
SCHEMBL3546850 0.87 PLK1 (0.47) IDH1PLK1RPS6KB1CDK1KDR
SCHEMBL4257883 0.86 ALDH1A1 (0.43) IDH1PLK1RPS6KB1CDK1KDR
SCHEMBL3546619 0.86 PLK1 (0.39) IDH1PLK1RPS6KB1CDK1KDR
SCHEMBL3550499 0.86 PLK1 (0.39) PLK1RPS6KB1AR
SCHEMBL3558617 0.86 PLK1 (0.39) IDH1PLK1RPS6KB1CDK1KDR
SCHEMBL3559127 0.84 CDK2 (0.37) IDH1PLK1RPS6KB1CDK1CDK2
SCHEMBL3558801 0.84 PLK1 (0.38) IDH1PLK1RPS6KB1CDK1KDR
SCHEMBL3552091 0.84 PLK1 (0.38) IDH1PLK1RPS6KB1CDK1KDR
SCHEMBL2199169 0.84 PLK1 (0.43) IDH1PLK1RPS6KB1CDK1KDR

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 IDH1 767/4885PLK1 1/4885RPS6KB1 912/4885

“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.