SCHEMBL9931827

SCHEMBL9931827

Cn1c(-c2cc(N3CCC(N)CC3)ncc2F)nc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 4/20 0.43
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
PDE10A Q9Y233 3/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
DRD4 P21917 1/20 0.38
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL12841515 0.87 MKNK1 (0.46) SSTR2CKS1BSKP1SKP2ALOX15
SCHEMBL9931740 0.85 ADRB1 (0.44) PDE10AKDM4EGAAMAPTNPC1
SCHEMBL12841340 0.85 AOC3 (0.44) CKS1BSKP1SKP2TP53MEN1
SCHEMBL1533932 0.84 SMO (0.43) CKS1BSKP1SKP2TP53MEN1
SCHEMBL9968432 0.83 SMO (0.56) KCNH2
SCHEMBL9932747 0.83 SMO (0.51) CKS1BSKP1SKP2
SCHEMBL9968431 0.83 PDE10A (0.40) PDE10AKDM4EKCNH2NPC1RAB9A
SCHEMBL9968433 0.82 SMO (0.52) PDE10ACKS1BSKP1SKP2TP53
SCHEMBL9932565 0.82 SMO (0.41) CKS1BSKP1SKP2TP53
SCHEMBL9931814 0.82 SMO (0.49) KDM4EGAAMAPT

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 SSTR2 1136/4885PIM1 950/4885PIM3 1026/4885

“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.