SCHEMBL5113401

SCHEMBL5113401

C#Cc1ccsc1-c1nc2cnccn2c1NCCCC.c1cc2ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.53
ATM Q13315 5/20 0.47
APAF1 O14727 1/20 0.47
TLR9 Q9NR96 3/20 0.45
IDE P14735 1/20 0.43
GAA P10253 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.40
CDK9 P50750 1/20 0.39
TRIM33 Q9UPN9 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL5128033 0.93 BRD4 (0.48) BRD4ATMAPAF1TLR9IDE
SCHEMBL5122857 0.90 BRD4 (0.45) BRD4ATMAPAF1TLR9IDE
SCHEMBL5129311 0.88 PLAU (0.42) BRD4ATMAPAF1TLR9IDE
SCHEMBL5118759 0.83 CDK9 (0.41) BRD4GAAALDH1A1KDM4EHPGD
SCHEMBL5113461 0.82 BRD4 (0.50) BRD4GAAALDH1A1KDM4EHPGD
SCHEMBL27687489 0.81 BRD4 (0.49) BRD4ATMAPAF1TLR9IDE
SCHEMBL27687439 0.80 BRD4 (0.48) BRD4ATMAPAF1TLR9IDE
SCHEMBL5121032 0.79 CDK9 (0.41) BRD4GAAALDH1A1KDM4EHPGD
SCHEMBL5113515 0.79 GAA (0.41) ATMGAAALDH1A1KDM4EHPGD
SCHEMBL5130362 0.77 CDK9 (0.57) BRD4ATMGAAALDH1A1KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791840-B1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2013-11-27 EP claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US claimed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 US claimed
US-7420056-B2 Substituted bicyclic imidazo-3-ylamine compounds GRUENENTHAL GMBH (DE) 2008-09-02 US disclosed
US-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS GRUENENTHAL GMBH. (DE) 2007-07-05 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-20070155965-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PAICS BRD4 83/4885ATM 2844/4885APAF1 4863/4885

“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.