SCHEMBL9968314

SCHEMBL9968314

CC(=O)NC1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.50
SKP1 P63208 2/20 0.50
SKP2 Q13309 2/20 0.50
SMO Q99835 4/20 0.46
BRD4 O60885 1/20 0.46
OPRM1 P35372 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
OGFRL1 Q5TC84 3/20 0.46
CYP2C9 P11712 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
ITGB2 P05107 2/20 0.45
ICAM1 P05362 2/20 0.45
ITGAL P20701 2/20 0.45
PIK3CB P42338 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL9931867 0.93 SMO (0.44) CKS1BSKP1SKP2SMOOPRM1
SCHEMBL9968320 0.90 SMO (0.48) CKS1BSKP1SKP2SMOBRD4
SCHEMBL9931742 0.84 MEN1 (0.50) SMOITGB2ICAM1ITGALMEN1
SCHEMBL9968315 0.84 SMO (0.58) SMOOPRM1OPRD1OPRK1OGFRL1
SCHEMBL9968316 0.83 MEN1 (0.51) MEN1KMT2APDE10A
SCHEMBL9932266 0.83 MEN1 (0.58) CYP2C9MEN1KMT2A
SCHEMBL9932291 0.83 MEN1 (0.48) CKS1BSKP1SKP2SMOBRD4
SCHEMBL9932747 0.82 SMO (0.51) CKS1BSKP1SKP2SMOBRD4
SCHEMBL9931939 0.82 SMO (0.62) CKS1BSKP1SKP2SMO
SCHEMBL9968480 0.81 LRRK2 (0.47) SMOMAPK8MAPK9MAPK10MEN1

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.