SCHEMBL9932747

SCHEMBL9932747

CC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)c(F)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.51
CKS1B P61024 2/20 0.48
SKP1 P63208 2/20 0.48
SKP2 Q13309 2/20 0.48
PIK3CB P42338 1/20 0.45
OPRM1 P35372 3/20 0.44
OPRD1 P41143 3/20 0.44
OPRK1 P41145 3/20 0.44
OGFRL1 Q5TC84 3/20 0.44
KRAS P01116 1/20 0.43
SOS1 Q07889 1/20 0.43
BRD4 O60885 1/20 0.42
CYP2C9 P11712 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL1533932 0.94 SMO (0.43) SMOCKS1BSKP1SKP2
SCHEMBL12841340 0.92 AOC3 (0.44) SMOCKS1BSKP1SKP2
SCHEMBL9932565 0.91 SMO (0.41) SMOCKS1BSKP1SKP2
SCHEMBL9968433 0.91 SMO (0.52) SMOCKS1BSKP1SKP2OPRM1
SCHEMBL9931939 0.89 SMO (0.62) SMOCKS1BSKP1SKP2
SCHEMBL9932426 0.89 FASN (0.49) SMOCKS1BSKP1SKP2BRD4
SCHEMBL9968523 0.88 CKS1B (0.52) SMOCKS1BSKP1SKP2OPRM1
SCHEMBL9968432 0.85 SMO (0.56) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9931814 0.84 SMO (0.49) SMO
SCHEMBL9931741 0.84 SMO (0.56) SMOCKS1BSKP1SKP2OPRM1

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 SMO 1/4885CKS1B 187/4885SKP1 720/4885

“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.