SCHEMBL3552537

SCHEMBL3552537

Cc1cccn2c(-c3nc(N[C@@H](C)c4ccccc4)ncc3I)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDH1 O75874 1/20 0.39
ATP1A1 P05023 3/20 0.37
ATP1B1 P05026 3/20 0.37
ATP1A3 P13637 3/20 0.37
ATP1B2 P14415 3/20 0.37
ATP1A2 P50993 3/20 0.37
ATP1B3 P54709 3/20 0.37
FXYD2 P54710 3/20 0.37
ATP1A4 Q13733 3/20 0.37
LCK P06239 4/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC2 Q92769 3/20 0.37
RPS6KB1 P23443 2/20 0.36
FLT1 P17948 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
SCHEMBL3554499 0.88 IGF1R (0.39) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3548594 0.88 MAPK14 (0.40) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3551921 0.88 TP53 (0.43) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3555836 0.87 TP53 (0.38) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3549226 0.87 HDAC6 (0.39) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3550460 0.86 IGF1R (0.43) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3551710 0.86 TP53 (0.40) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3552661 0.85 TP53 (0.43) TP53SMN1; SMN2IDH1HDAC1HDAC6
SCHEMBL3550090 0.85 TP53 (0.39) TP53SMN1; SMN2IDH1ATP1A1ATP1B1
SCHEMBL3546850 0.85 PLK1 (0.47) TP53SMN1; SMN2IDH1ATP1A1ATP1B1

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 TP53 238/4885SMN1; SMN2 3452/4885IDH1 767/4885

“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.