SCHEMBL3554700

SCHEMBL3554700

Cc1cc(Br)c2ncc(-c3nc(N[C@@H](C)c4cccc(N)c4)ncc3C#N)n2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.40
RPS6KB1 P23443 2/20 0.35
CDK1 P06493 2/20 0.33
KDR P35968 1/20 0.33
IDH1 O75874 3/20 0.32
EGFR P00533 2/20 0.32
PRKDC P78527 2/20 0.32
KRAS P01116 1/20 0.32
SOS1 Q07889 1/20 0.32
AR P10275 1/20 0.32
AURKA O14965 1/20 0.32
CDK2 P24941 2/20 0.31
CCNT1 O60563 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CCNH P51946 1/20 0.31
CCNA1 P78396 1/20 0.31
PFKFB3 Q16875 1/20 0.31

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
SCHEMBL3550661 0.90 PLK1 (0.41) PLK1RPS6KB1IDH1EGFRPRKDC
SCHEMBL3554813 0.85 PLK1 (0.40) PLK1RPS6KB1IDH1EGFRPRKDC
SCHEMBL3558685 0.84 PLK1 (0.41) PLK1RPS6KB1CDK1KDRIDH1
SCHEMBL3557550 0.82 CDK2 (0.38) PLK1CDK1CDK2CCNT1CCNB1
SCHEMBL3549490 0.82 PLK1 (0.40) PLK1RPS6KB1IDH1EGFRPRKDC
SCHEMBL3555308 0.81 PLK1 (0.42) PLK1RPS6KB1IDH1EGFRPRKDC
SCHEMBL3556289 0.81 PLK1 (0.39) PLK1RPS6KB1IDH1EGFRPRKDC
SCHEMBL3549525 0.80 PLK1 (0.39) PLK1RPS6KB1IDH1EGFRPRKDC
SCHEMBL3556936 0.79 PLK1 (0.38) PLK1RPS6KB1EGFRPRKDCAR
SCHEMBL3560355 0.79 PLK1 (0.38) PLK1RPS6KB1CDK1IDH1AURKA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101048406-B Novel substituted imidazole derivatives BANYU PHARMA CO LTD 2010-12-22 CN disclosed
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
CN-101048406-A Novel substituted imidazole derivatives BANYU PHARMA CO LTD (JP) 2007-10-03 CN 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 PLK1 1/4885RPS6KB1 912/4885CDK1 2/4885

“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.