SCHEMBL3552782

SCHEMBL3552782

CON=Cc1cnc(N[C@@H](C)c2ccccc2)nc1-c1cnc2c(C)cccn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.36
IDH1 O75874 3/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RPS6KB1 P23443 5/20 0.35
FLT1 P17948 1/20 0.35
ATP1A1 P05023 3/20 0.33
ATP1B1 P05026 3/20 0.33
ATP1A3 P13637 3/20 0.33
ATP1B2 P14415 3/20 0.33
ATP1A2 P50993 3/20 0.33
ATP1B3 P54709 3/20 0.33
FXYD2 P54710 3/20 0.33
ATP1A4 Q13733 3/20 0.33
LCK P06239 2/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
PLK1 P53350 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
SCHEMBL3558638 0.89 TP53 (0.38) IGF1RIDH1TP53SMN1; SMN2RPS6KB1
SCHEMBL3551710 0.86 TP53 (0.40) IGF1RIDH1TP53SMN1; SMN2RPS6KB1
SCHEMBL3550460 0.84 IGF1R (0.43) IGF1RIDH1TP53SMN1; SMN2RPS6KB1
SCHEMBL3551921 0.82 TP53 (0.43) IGF1RIDH1TP53SMN1; SMN2RPS6KB1
SCHEMBL3552537 0.82 TP53 (0.39) IDH1TP53SMN1; SMN2RPS6KB1FLT1
SCHEMBL3554499 0.82 IGF1R (0.39) IGF1RIDH1TP53SMN1; SMN2RPS6KB1
SCHEMBL3548594 0.82 MAPK14 (0.40) IDH1TP53SMN1; SMN2RPS6KB1FLT1
SCHEMBL3555836 0.81 TP53 (0.38) IDH1TP53SMN1; SMN2RPS6KB1FLT1
SCHEMBL3549226 0.81 HDAC6 (0.39) IDH1TP53SMN1; SMN2RPS6KB1FLT1
SCHEMBL3558769 0.81 TP53 (0.41) IGF1RIDH1TP53SMN1; SMN2MAPK14

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 IGF1R 101/4885IDH1 767/4885TP53 238/4885

“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.