SCHEMBL9931946

SCHEMBL9931946

CC(=O)N1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)[C@@H](C)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.43
BRD4 O60885 4/20 0.40
GSK3B P49841 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.38
MAPK8 P45983 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL12841512 1.00 SMO (0.43) SMOBRD4GSK3BSMARCA2SMARCA4
SCHEMBL9931427 1.00 SMO (0.43) SMOBRD4GSK3BSMARCA2SMARCA4
SCHEMBL9968408 0.91 SMO (0.38) SMOMEN1KMT2A
SCHEMBL9968457 0.91 SMO (0.38) SMOMEN1KMT2A
SCHEMBL9932427 0.85 SMO (0.59) SMOMEN1KMT2A
SCHEMBL9932004 0.84 SMO (0.43) SMOGSK3BSUV39H2MEN1KMT2A
SCHEMBL9933004 0.84 SMO (0.43) SMOGSK3BSUV39H2MEN1KMT2A
SCHEMBL9968441 0.82 SMO (0.39) SMOMEN1KMT2AFAAHEPHX2
SCHEMBL9968395 0.82 SMO (0.39) SMOMEN1KMT2AFAAHEPHX2
SCHEMBL9932918 0.82 SMO (0.43) SMOBRD4SMARCA2SMARCA4PBRM1

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 2 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

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 1/4885BRD4 21/4885GSK3B 1230/4885

“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.