SCHEMBL5112885

SCHEMBL5112885

CC(Nc1c(-c2cc(C#Cc3ccccc3)cs2)nc2cnccn12)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.51
NR1H4 Q96RI1 2/20 0.44
GAA P10253 8/20 0.39
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
CDK9 P50750 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
BRAF P15056 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TUBB4A P04350 4/20 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
SCHEMBL5122230 0.87 BRD4 (0.51) BRD4NR1H4GAAMAPTTP53
SCHEMBL5113455 0.83 SALL4 (0.50) BRD4GAAMAPTKDM4EMAPK1
SCHEMBL5113389 0.80 BRD4 (0.48) BRD4NR1H4GAAKDM4EMAPK1
SCHEMBL5112959 0.79 CDK9 (0.50) BRD4NR1H4GAAMAPTKDM4E
SCHEMBL5120684 0.79 GAA (0.53) GAAMAPTTP53KDM4EMAPK1
SCHEMBL5125219 0.79 GAA (0.40) BRD4GAAMAPTKDM4EMAPK1
SCHEMBL5129559 0.78 BRD4 (0.45) BRD4GAAMAPTTP53KDM4E
SCHEMBL5117938 0.78 GAA (0.39) BRD4GAAMAPTKDM4EMAPK1
SCHEMBL5114384 0.77 BRD4 (0.55) BRD4NR1H4GAAMAPTTP53
SCHEMBL5122237 0.76 CDK9 (0.45) BRD4NR1H4GAAMAPTKDM4E

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 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 83/4885NR1H4 2683/4885GAA 234/4885

“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.