SCHEMBL9932291

SCHEMBL9932291

CC(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)ccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ITGB2 P05107 4/20 0.46
ITGAL P20701 4/20 0.46
ICAM1 P05362 3/20 0.46
SMO Q99835 3/20 0.46
NCF1 P14598 2/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
BRD4 O60885 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
GRM2 Q14416 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL9932455 0.96 ITGB2 (0.49) MEN1KMT2AITGB2ITGALICAM1
SCHEMBL9932266 0.90 MEN1 (0.58) MEN1KMT2AGRM2
SCHEMBL9968327 0.89 MEN1 (0.48) MEN1KMT2ASMOGRM2HDAC1
SCHEMBL9932994 0.89 MEN1 (0.46) MEN1KMT2AITGB2ITGALICAM1
SCHEMBL9932684 0.89 ALDH1A1 (0.46) MEN1KMT2ASMOGRM2HDAC1
SCHEMBL9931840 0.85 SMO (0.45) MEN1KMT2AITGB2ITGALICAM1
SCHEMBL9932662 0.85 ITGB2 (0.44) MEN1KMT2AITGB2ITGALICAM1
SCHEMBL9968309 0.84 MEN1 (0.55) MEN1KMT2AGRM2
SCHEMBL9968330 0.84 MEN1 (0.55) MEN1KMT2AGRM2
SCHEMBL9932249 0.83 HSD11B1 (0.48) MEN1KMT2ASMOGRM2

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 MEN1 1168/4885KMT2A 310/4885ITGB2 2471/4885

“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.