SCHEMBL9968523

SCHEMBL9968523

Cn1c(-c2cc(N3CCC(NC(=O)OC(C)(C)C)CC3)ncc2F)nc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 3/20 0.52
SKP1 P63208 3/20 0.52
SKP2 Q13309 3/20 0.52
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OGFRL1 Q5TC84 1/20 0.47
SMO Q99835 6/20 0.44
PDE10A Q9Y233 2/20 0.43
RET P07949 1/20 0.43
MAPK8 P45983 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SYK P43405 1/20 0.41
SUV39H2 Q9H5I1 1/20 0.40
BTK Q06187 1/20 0.40
KCNA3 P22001 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
SCHEMBL9968433 0.91 SMO (0.52) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL1533932 0.89 SMO (0.43) CKS1BSKP1SKP2SMO
SCHEMBL9932747 0.88 SMO (0.51) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL12841340 0.87 AOC3 (0.44) CKS1BSKP1SKP2SMO
SCHEMBL9932565 0.86 SMO (0.41) CKS1BSKP1SKP2SMO
SCHEMBL9932426 0.84 FASN (0.49) CKS1BSKP1SKP2SMO
SCHEMBL9932527 0.84 CKS1B (0.48) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL3806273 0.83 OPRM1 (0.54) CKS1BSKP1SKP2OPRM1OPRD1
SCHEMBL9968331 0.81 SMO (0.64) SMO
SCHEMBL9968432 0.81 SMO (0.56) OPRM1OPRD1OPRK1OGFRL1SMO

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-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 CKS1B 187/4885SKP1 720/4885SKP2 1007/4885

“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.