SCHEMBL3546784

SCHEMBL3546784

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.45
AR P10275 1/20 0.40
RPS6KB1 P23443 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDR P35968 2/20 0.36
EGFR P00533 3/20 0.35
PRKDC P78527 3/20 0.35
MAPK14 Q16539 2/20 0.35
CDK1 P06493 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 1/20 0.35
IDH1 O75874 2/20 0.35
IGF1R P08069 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL3554986 0.92 PLK1 (0.38) PLK1ARRPS6KB1HDAC6ALDH1A1
SCHEMBL3549480 0.92 PLK1 (0.38) PLK1ARRPS6KB1HDAC6ALDH1A1
SCHEMBL3556289 0.90 PLK1 (0.39) PLK1ARRPS6KB1EGFRPRKDC
SCHEMBL3550669 0.89 PLK1 (0.48) PLK1ARRPS6KB1HDAC6ALDH1A1
SCHEMBL3551209 0.89 GUCY1B2 (0.38) PLK1ARRPS6KB1IGF1RCDK2
SCHEMBL3550604 0.88 PLK1 (0.35) PLK1ARRPS6KB1ALDH1A1HPGD
SCHEMBL3546850 0.88 PLK1 (0.47) PLK1ARRPS6KB1ALDH1A1HPGD
SCHEMBL3552605 0.87 PLK1 (0.36) PLK1ARRPS6KB1KDRMAPK14
SCHEMBL3560349 0.87 PLK1 (0.40) PLK1ARRPS6KB1ALDH1A1HPGD
SCHEMBL3551908 0.87 PLK1 (0.36) PLK1ARRPS6KB1KDRMAPK14

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 6 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 claimed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US claimed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
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 1/4885AR 2278/4885RPS6KB1 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.