SCHEMBL9931789

SCHEMBL9931789

Cn1c(-c2cc(N3CCC(C)(O)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
SMO Q99835 17/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDR P35968 1/20 0.39
PLK1 P53350 1/20 0.39
PTK2 Q05397 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL9968459 0.90 MEN1 (0.42) PTPN11SMOMEN1KMT2A
SCHEMBL9968340 0.89 MEN1 (0.40) PTPN11SMOMEN1KMT2A
SCHEMBL9933199 0.89 PTPN11 (0.44) PTPN11SMOMEN1KMT2A
SCHEMBL9932531 0.88 MEN1 (0.43) SMOMEN1KMT2A
SCHEMBL9932810 0.86 SMO (0.41) SMOMEN1KMT2AKDRPLK1
SCHEMBL9968319 0.86 MEN1 (0.46) SMOMEN1KMT2A
SCHEMBL9968382 0.85 SMO (0.41) SMOMEN1KMT2A
SCHEMBL9968356 0.85 KDM4E (0.41) SMOMEN1KMT2A
SCHEMBL9932736 0.85 SMO (0.45) SMOMEN1KMT2A
SCHEMBL9932138 0.84 SMO (0.54) PTPN11SMOMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157471-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2012-06-21 US disclosed
WO-2011027249-A2 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2011-03-10 WO 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-20120157471-A1 BENZIMIDAZOLE DERIVATIVES SMO, RB1, GLI1 PTPN11 3299/4885SMO 1/4885MEN1 1168/4885

“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.