SCHEMBL9931969

SCHEMBL9931969

Cn1c(-c2cc(N3CCC4(CC3)CNC(=O)O4)ncc2Cl)nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.65
PTPN11 Q06124 1/20 0.47
CDK8 P49336 7/20 0.44
CDK19 Q9BWU1 7/20 0.44
CCNC P24863 5/20 0.43
HDAC1 Q13547 5/20 0.42
CYP11B2 P19099 1/20 0.41
KCNH2 Q12809 2/20 0.41
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PDCD1LG2 Q9BQ51 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
SCHEMBL9968438 0.90 SMO (0.52) SMOPTPN11CDK8CDK19KMT2A
SCHEMBL9932498 0.85 SMO (0.65) SMOKCNH2TSHRMAPTKMT2A
SCHEMBL12841520 0.83 SMO (0.44) SMOPTPN11CDK8CCNCHDAC1
SCHEMBL9931789 0.82 PTPN11 (0.43) SMOPTPN11KMT2A
SCHEMBL9968445 0.82 SMO (0.52) SMOKMT2AKDM4ENPC1RAB9A
SCHEMBL9932531 0.81 MEN1 (0.43) SMOKMT2AKDM4ENPC1RAB9A
SCHEMBL9968459 0.80 MEN1 (0.42) SMOPTPN11KMT2AKDM4ENPC1
SCHEMBL9933199 0.80 PTPN11 (0.44) SMOPTPN11MAPTKMT2AKDM4E
SCHEMBL9968340 0.80 MEN1 (0.40) SMOPTPN11MAPTKMT2AKDM4E
SCHEMBL9933504 0.79 KDM4E (0.41) SMOKMT2AKDM4ENPC1RAB9A

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 1/4885PTPN11 3299/4885CDK8 883/4885

“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.