SCHEMBL9968459

SCHEMBL9968459

Cn1c(-c2cc(N3CCC(C)(F)CC3)ncc2Cl)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMO Q99835 11/20 0.40
DRD4 P21917 3/20 0.38
GRM2 Q14416 3/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTPN11 Q06124 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9932531 0.93 MEN1 (0.43) MEN1KMT2ASMODRD4GRM2
SCHEMBL9931789 0.90 PTPN11 (0.43) MEN1KMT2ASMOPTPN11
SCHEMBL9968319 0.86 MEN1 (0.46) MEN1KMT2ASMODRD4GRM2
SCHEMBL9968340 0.85 MEN1 (0.40) MEN1KMT2ASMODRD4GRM2
SCHEMBL9933199 0.85 PTPN11 (0.44) MEN1KMT2ASMODRD4GRM2
SCHEMBL9932601 0.84 ADRB1 (0.44) MEN1KMT2ASMOSMN1; SMN2KDM4E
SCHEMBL9932576 0.84 BRD4 (0.47) MEN1KMT2ASMOSMN1; SMN2KDM4E
SCHEMBL9968324 0.83 MEN1 (0.44) MEN1KMT2ASMOKDM4E
SCHEMBL9968358 0.82 MEN1 (0.41) MEN1KMT2ASMODRD4GRM2
SCHEMBL9932112 0.82 SMO (0.40) MEN1KMT2ASMOKDM4ENPC1

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 MEN1 1168/4885KMT2A 310/4885SMO 1/4885

“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.