SCHEMBL3549490

SCHEMBL3549490

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(Cl)cccn23)n1)c1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.40
IGF1R P08069 3/20 0.39
IDH1 O75874 3/20 0.36
RPS6KB1 P23443 2/20 0.36
EGFR P00533 2/20 0.34
PRKDC P78527 2/20 0.34
CDK2 P24941 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
MAP3K8 P41279 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
KMT2A Q03164 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL3555308 0.91 PLK1 (0.42) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3550661 0.90 PLK1 (0.41) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3558685 0.90 PLK1 (0.41) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3550094 0.90 PLK1 (0.39) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3554813 0.90 PLK1 (0.40) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3551627 0.89 PLK1 (0.46) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3556289 0.88 PLK1 (0.39) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3549525 0.87 PLK1 (0.39) PLK1IGF1RIDH1RPS6KB1EGFR
SCHEMBL3558543 0.87 IGF1R (0.37) IGF1RIDH1RPS6KB1KDM4EMEN1
SCHEMBL3560355 0.87 PLK1 (0.38) PLK1IGF1RIDH1RPS6KB1CDK2

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 1/4885IGF1R 101/4885IDH1 767/4885

“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.