SCHEMBL9932722

SCHEMBL9932722

CN(C)CC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
PIK3CB P42338 3/20 0.48
PIK3CD O00329 1/20 0.48
SMO Q99835 4/20 0.46
DRD4 P21917 1/20 0.43
GRM2 Q14416 1/20 0.43
JUN P05412 1/20 0.43
CDK2 P24941 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
IGF1R P08069 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RET P07949 1/20 0.40
EGFR P00533 1/20 0.40
P2RX3 P56373 1/20 0.40
ADRB2 P07550 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 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
SCHEMBL9968426 0.90 SMO (0.48) SMODRD4GRM2KMT2AMEN1
SCHEMBL9932442 0.90 SMO (0.48) SMODRD4GRM2IGF1RKMT2A
SCHEMBL9968425 0.88 SMO (0.47) SMODRD4GRM2KMT2AMEN1
SCHEMBL9932487 0.88 SMO (0.47) SMODRD4GRM2KMT2AMEN1
SCHEMBL9932074 0.87 SMO (0.48) SMODRD4GRM2IGF1RKMT2A
SCHEMBL9931835 0.86 SMO (0.61) PIK3CAPIK3CBPIK3CDSMODRD4
SCHEMBL9931706 0.84 SMO (0.63) SMODRD4GRM2IGF1RKMT2A
SCHEMBL1533944 0.84 SMO (0.48) SMODRD4GRM2KMT2AMEN1
SCHEMBL9932837 0.83 SMO (0.60) PIK3CAPIK3CBPIK3CDSMORET
SCHEMBL9968424 0.80 GRM2 (0.47) SMODRD4GRM2KMT2AMEN1

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 PIK3CA 2003/4885PIK3CB 1507/4885PIK3CD 1914/4885

“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.