SCHEMBL3555046

SCHEMBL3555046

Cc1cc(-c2cnc3c(C)cccn23)nc(N[C@@H](C)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATP1A1 P05023 6/20 0.38
ATP1B1 P05026 6/20 0.38
ATP1A3 P13637 6/20 0.38
ATP1B2 P14415 6/20 0.38
ATP1A2 P50993 6/20 0.38
ATP1B3 P54709 6/20 0.38
FXYD2 P54710 6/20 0.38
ATP1A4 Q13733 6/20 0.38
PLK1 P53350 1/20 0.38
LCK P06239 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL3548953 0.86 FLT3 (0.49) IDH1LCKFLT3MAPK13MAPK12
SCHEMBL3551237 0.79 TP53 (0.38) IDH1TP53SMN1; SMN2ATP1A1ATP1B1
SCHEMBL3551921 0.78 TP53 (0.43) IDH1TP53SMN1; SMN2ATP1A1ATP1B1
SCHEMBL3552537 0.78 TP53 (0.39) IDH1TP53SMN1; SMN2ATP1A1ATP1B1
SCHEMBL3554499 0.78 IGF1R (0.39) IDH1TP53SMN1; SMN2ATP1A1ATP1B1
SCHEMBL3548594 0.78 MAPK14 (0.40) IDH1NPC1RAB9ATP53SMN1; SMN2
SCHEMBL3555836 0.77 TP53 (0.38) IDH1TP53SMN1; SMN2ATP1A1ATP1B1
SCHEMBL3549226 0.77 HDAC6 (0.39) IDH1TP53SMN1; SMN2ATP1A1ATP1B1
SCHEMBL3551389 0.77 SMN1; SMN2 (0.38) IDH1TP53SMN1; SMN2ATP1A1ATP1B1
SCHEMBL3550460 0.76 IGF1R (0.43) IDH1TP53SMN1; SMN2ATP1A1ATP1B1

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 IDH1 767/4885MEN1 885/4885NPC1 2808/4885

“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.