SCHEMBL9968423

SCHEMBL9968423

CC1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.47
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
DRD4 P21917 1/20 0.45
GRM2 Q14416 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTR3A P46098 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
TSHR P16473 1/20 0.41
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RPS6KB1 P23443 1/20 0.39
GSK3B P49841 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
SCHEMBL9932881 0.90 SMO (0.60) SMOMKNK1MKNK2DRD4GRM2
SCHEMBL1533965 0.90 MKNK1 (0.54) SMOMKNK1MKNK2DRD4GRM2
SCHEMBL9968424 0.87 GRM2 (0.47) SMOMKNK1MKNK2DRD4GRM2
SCHEMBL9932312 0.86 SMO (0.48) SMOMKNK1MKNK2DRD4GRM2
SCHEMBL1533887 0.85 CYP1A2 (0.47) SMODRD4GRM2MEN1KMT2A
SCHEMBL9932954 0.85 PIK3CB (0.50) DRD4GRM2MEN1KMT2ATSHR
SCHEMBL9932077 0.85 SMO (0.47) SMOMKNK1MKNK2DRD4GRM2
SCHEMBL9932472 0.84 SMO (0.66) SMO
SCHEMBL9968416 0.82 TSHR (0.43) SMOMEN1KMT2ATSHRMETAP2
SCHEMBL9931835 0.82 SMO (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885MKNK1 2713/4885MKNK2 2550/4885

“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.