SCHEMBL3556864

SCHEMBL3556864

C[C@H](Nc1ncc(C#N)c(-c2cnc3c(N)ccnn23)n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.46
RPS6KB1 P23443 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 1/20 0.39
EGFR P00533 2/20 0.38
PRKDC P78527 2/20 0.38
ATP1A1 P05023 3/20 0.36
ATP1B1 P05026 3/20 0.36
ATP1A3 P13637 3/20 0.36
ATP1B2 P14415 3/20 0.36
ATP1A2 P50993 3/20 0.36
ATP1B3 P54709 3/20 0.36
FXYD2 P54710 3/20 0.36
ATP1A4 Q13733 3/20 0.36
IDH1 O75874 3/20 0.36
KDR P35968 2/20 0.36
CDK1 P06493 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL3546848 0.90 PLK1 (0.47) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3556865 0.84 PLK1 (0.46) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3551711 0.80 PLK1 (0.45) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3550669 0.79 PLK1 (0.48) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3546850 0.77 PLK1 (0.47) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3551627 0.76 PLK1 (0.46) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3554769 0.76 PLK1 (0.50) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3549263 0.75 PLK1 (0.45) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3546784 0.75 PLK1 (0.45) PLK1RPS6KB1ALDH1A1HPGDAR
SCHEMBL3550655 0.75 PLK1 (0.43) PLK1RPS6KB1ALDH1A1HPGDAR

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 PLK1 1/4885RPS6KB1 912/4885ALDH1A1 4349/4885

“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.