SCHEMBL9931706

SCHEMBL9931706

COC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.63
DRD4 P21917 1/20 0.43
GRM2 Q14416 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PTPN11 Q06124 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ERG P11308 1/20 0.40
IGF1R P08069 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE10A Q9Y233 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL9931835 0.89 SMO (0.61) SMODRD4GRM2MEN1KMT2A
SCHEMBL1533944 0.88 SMO (0.48) SMODRD4GRM2MEN1KMT2A
SCHEMBL9932074 0.88 SMO (0.48) SMODRD4GRM2MEN1KMT2A
SCHEMBL9968426 0.86 SMO (0.48) SMODRD4GRM2MEN1KMT2A
SCHEMBL9932442 0.86 SMO (0.48) SMODRD4GRM2MEN1KMT2A
SCHEMBL9968425 0.85 SMO (0.47) SMODRD4GRM2MEN1KMT2A
SCHEMBL9932487 0.85 SMO (0.47) SMODRD4GRM2MEN1KMT2A
SCHEMBL9932722 0.84 PIK3CA (0.48) SMODRD4GRM2MEN1KMT2A
SCHEMBL9968424 0.82 GRM2 (0.47) SMODRD4GRM2MEN1KMT2A
SCHEMBL9932077 0.82 SMO (0.47) SMODRD4GRM2MEN1KMT2A

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 SMO 1/4885DRD4 2786/4885GRM2 4393/4885

“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.