SCHEMBL9968332

SCHEMBL9968332

C=C1CCN(c2cc(-c3nc4ccccc4n3C)c(Cl)cn2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMO Q99835 13/20 0.40
KDR P35968 1/20 0.37
PLK1 P53350 1/20 0.37
PTK2 Q05397 1/20 0.37
AURKB Q96GD4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE10A Q9Y233 1/20 0.36
GRM2 Q14416 1/20 0.35

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
SCHEMBL9968399 0.92 MEN1 (0.41) MEN1KMT2ASMOKDRPLK1
SCHEMBL9968360 0.90 SMO (0.38) MEN1KMT2ASMO
SCHEMBL9933504 0.89 KDM4E (0.41) MEN1KMT2ASMOKDM4ENPC1
SCHEMBL9932601 0.87 ADRB1 (0.44) MEN1KMT2ASMOKDM4ENPC1
SCHEMBL9931663 0.83 KDM4E (0.42) MEN1KMT2ASMOKDM4ENPC1
SCHEMBL9968319 0.82 MEN1 (0.46) MEN1KMT2ASMOKDM4ENPC1
SCHEMBL9932576 0.81 BRD4 (0.47) MEN1KMT2ASMOKDRPTK2
SCHEMBL9932075 0.80 MEN1 (0.41) MEN1KMT2ASMOKDM4ENPC1
SCHEMBL9933020 0.80 MEN1 (0.41) MEN1KMT2ASMOKDM4ENPC1
SCHEMBL9931789 0.80 PTPN11 (0.43) MEN1KMT2ASMOKDRPLK1

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.