SCHEMBL3556865

SCHEMBL3556865

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(N)cccn23)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.46
RPS6KB1 P23443 2/20 0.42
AR P10275 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
EGFR P00533 3/20 0.39
PRKDC P78527 3/20 0.39
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
KMT2A Q03164 2/20 0.38
RELA Q04206 2/20 0.38

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
SCHEMBL3550669 0.91 PLK1 (0.48) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3546850 0.89 PLK1 (0.47) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3551711 0.89 PLK1 (0.45) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3551627 0.89 PLK1 (0.46) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3546784 0.87 PLK1 (0.45) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3558657 0.86 AR (0.51) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3546619 0.85 PLK1 (0.39) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL2199169 0.84 PLK1 (0.43) PLK1RPS6KB1ARALDH1A1HPGD
SCHEMBL3550094 0.84 PLK1 (0.39) PLK1RPS6KB1ARALDH1A1EGFR
SCHEMBL3556864 0.84 PLK1 (0.46) PLK1RPS6KB1ARALDH1A1HPGD

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 912/4885AR 2278/4885

“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.