SCHEMBL3560355

SCHEMBL3560355

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 4/20 0.38
IGF1R P08069 2/20 0.35
RPS6KB1 P23443 3/20 0.34
PIK3CD O00329 3/20 0.34
IDH1 O75874 3/20 0.34
CDK2 P24941 3/20 0.34
CCNT1 O60563 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK7 P50613 2/20 0.33
CDK9 P50750 2/20 0.33
CCNH P51946 2/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
AURKA O14965 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CG P48736 1/20 0.32
CCNA1 P78396 1/20 0.32
P2RX3 P56373 2/20 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 0.88 PLK1 (0.41) PLK1IGF1RRPS6KB1PIK3CDIDH1
SCHEMBL3558685 0.88 PLK1 (0.41) PLK1IGF1RRPS6KB1IDH1CDK2
SCHEMBL3549490 0.87 PLK1 (0.40) PLK1IGF1RRPS6KB1PIK3CDIDH1
SCHEMBL3556936 0.85 PLK1 (0.38) PLK1IGF1RRPS6KB1CDK2AURKA
SCHEMBL3556289 0.85 PLK1 (0.39) PLK1IGF1RRPS6KB1PIK3CDIDH1
SCHEMBL3549525 0.85 PLK1 (0.39) PLK1IGF1RRPS6KB1IDH1CDK2
SCHEMBL3550095 0.83 CDK2 (0.37) PLK1IGF1RRPS6KB1IDH1CDK2
SCHEMBL3555308 0.83 PLK1 (0.42) PLK1IGF1RRPS6KB1PIK3CDIDH1
SCHEMBL3554813 0.80 PLK1 (0.40) PLK1IGF1RRPS6KB1IDH1
SCHEMBL3554700 0.79 PLK1 (0.40) PLK1IGF1RRPS6KB1PIK3CDIDH1

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 101/4885RPS6KB1 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.