SCHEMBL9933103

SCHEMBL9933103

CN1CCN(C2CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 4/20 0.43
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
INSR P06213 4/20 0.42
IGF1R P08069 4/20 0.42
ALK Q9UM73 4/20 0.42
SMO Q99835 3/20 0.41
EGFR P00533 4/20 0.41
HTR3A P46098 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 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
SCHEMBL9968379 0.91 SMO (0.40) SMOMEN1KMT2A
SCHEMBL9932735 0.90 SMO (0.49) SMOMEN1KMT2A
SCHEMBL9968324 0.87 MEN1 (0.44) SMOMEN1KMT2A
SCHEMBL9931667 0.86 SMO (0.40) SMOMEN1KMT2A
SCHEMBL12841515 0.86 MKNK1 (0.46) SMOHTR3AMEN1KMT2A
SCHEMBL9932138 0.86 SMO (0.54) SMOMEN1KMT2A
SCHEMBL9932494 0.85 SMO (0.37) SMOMEN1KMT2A
SCHEMBL9932496 0.85 DGAT1 (0.41) SMOMEN1KMT2A
SCHEMBL9968360 0.85 SMO (0.38) SMOMEN1KMT2A
SCHEMBL9931952 0.85 OPRM1 (0.40) SMO

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 ACVR1 476/4885BMPR1B 172/4885BMPR1A 144/4885

“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.