SCHEMBL5122848

SCHEMBL5122848

CCCCCNc1c(-c2ccc(C#Cc3ccccc3)s2)nc2cnccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
ATM Q13315 5/20 0.42
APAF1 O14727 1/20 0.42
CDK9 P50750 1/20 0.42
TLR9 Q9NR96 2/20 0.41
IDE P14735 1/20 0.40
SALL4 Q9UJQ4 2/20 0.40
NR1H4 Q96RI1 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BRAF P15056 2/20 0.36
TRIM24 O15164 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
SCHEMBL5128028 0.97 BRD4 (0.48) BRD4ATMAPAF1CDK9TLR9
SCHEMBL5129310 0.94 CDK9 (0.44) BRD4ATMAPAF1CDK9TLR9
SCHEMBL27687434 0.91 BRD4 (0.47) BRD4ATMAPAF1CDK9TLR9
SCHEMBL27687488 0.91 BRD4 (0.49) BRD4ATMAPAF1CDK9TLR9
SCHEMBL5118754 0.90 CDK9 (0.45) BRD4CDK9SALL4KDM4EGAA
SCHEMBL5121028 0.85 CDK9 (0.45) BRD4ATMAPAF1CDK9SALL4
SCHEMBL5130358 0.85 CDK9 (0.60) BRD4ATMCDK9SALL4NR1H4
SCHEMBL5113507 0.85 GAA (0.43) ATMCDK9SALL4KDM4EGAA
SCHEMBL5113389 0.84 BRD4 (0.48) BRD4ATMAPAF1CDK9TLR9
SCHEMBL28770318 0.84 BRD4 (0.52) BRD4ATMAPAF1CDK9TLR9

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 7 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
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 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-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.