SCHEMBL5115223

SCHEMBL5115223

CN(C)c1c(-c2ccc(C#Cc3ccccc3)s2)nc2cnccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 12/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
BRAF P15056 3/20 0.36
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
MAPT P10636 8/20 0.34
TP53 P04637 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GRM5 P41594 1/20 0.33
BRD4 O60885 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5115120 0.91 GAA (0.39) GAAKDM4EMAPK1LMNABRAF
SCHEMBL5117823 0.89 GAA (0.36) GAAKDM4EMAPK1LMNABRAF
SCHEMBL5121700 0.87 GAA (0.34) GAAKDM4EMAPK1LMNABRAF
SCHEMBL5122708 0.86 MAPK10 (0.35) GAAKDM4EMAPK1LMNAALDH1A1
SCHEMBL5266187 0.86 GAA (0.32) GAAKDM4EMAPK1LMNABRAF
SCHEMBL5269916 0.86 GAA (0.35) GAAKDM4EMAPK1LMNABRAF
Hydrochloric Acid SCHEMBL5128517 0.85 GAA (0.31) GAAKDM4EMAPK1LMNACDK9
SCHEMBL5121149 0.84 BRAF (0.36) GAAKDM4EMAPK1LMNABRAF
Hydrochloric Acid SCHEMBL5121354 0.84 BRAF (0.36) GAAKDM4EMAPK1LMNABRAF
SCHEMBL5121495 0.83 CDK9 (0.36) GAAKDM4EMAPK1LMNABRAF

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 GAA 234/4885KDM4E 1336/4885MAPK1 4416/4885

“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.