SCHEMBL9932377

SCHEMBL9932377

Cc1nccc(C2(O)CCN(c3cc(-c4nc5ccccc5n4C)c(Cl)cn3)C2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMO Q99835 12/20 0.37
KDR P35968 2/20 0.36
PTK2 Q05397 2/20 0.36
PLK1 P53350 1/20 0.36
AURKB Q96GD4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AKT1 P31749 1/20 0.33
PDE10A Q9Y233 2/20 0.33
CYP2C9 P11712 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL9968382 0.90 SMO (0.41) SMOMEN1KMT2APDE10AGRM2
SCHEMBL9932143 0.89 SMO (0.37) SMOKDRPTK2PLK1AURKB
SCHEMBL9932810 0.88 SMO (0.41) SMOKDRPTK2PLK1AURKB
SCHEMBL9931947 0.84 PRCP (0.38) SMOKDRPTK2PLK1AURKB
SCHEMBL9932538 0.84 SMO (0.37) SMOKDRPTK2PLK1AURKB
SCHEMBL9931789 0.83 PTPN11 (0.43) SMOKDRPTK2PLK1AURKB
SCHEMBL9968340 0.79 MEN1 (0.40) SMOMEN1KMT2AKDM4EDRD4
SCHEMBL9933199 0.79 PTPN11 (0.44) SMOMEN1KMT2AKDM4EPDE10A
SCHEMBL9932531 0.79 MEN1 (0.43) SMOMEN1KMT2AKDM4ENPC1
SCHEMBL9968459 0.78 MEN1 (0.42) SMOMEN1KMT2AKDM4ENPC1

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 1/4885KDR 1623/4885PTK2 3203/4885

“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.