SCHEMBL5127799

SCHEMBL5127799

CC(C)(C)C(=O)Nc1c(-c2ccc(C#Cc3ccccc3)s2)nc2cnccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SALL4 Q9UJQ4 3/20 0.38
GAA P10253 10/20 0.38
KDM4E B2RXH2 6/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 4/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
ALOX15 P16050 2/20 0.37
BRAF P15056 3/20 0.36
CDK9 P50750 1/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 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
SCHEMBL5114305 0.90 KDM4E (0.40) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5122878 0.87 CYP1A2 (0.46) GAAKDM4EMAPK1LMNAALDH1A1
SCHEMBL5127402 0.86 SALL4 (0.50) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5113507 0.85 GAA (0.43) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5121533 0.83 CDK9 (0.43) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5115034 0.82 GAA (0.47) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5129559 0.82 BRD4 (0.45) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5118754 0.82 CDK9 (0.45) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5125223 0.82 GAA (0.49) SALL4GAAKDM4EMAPK1LMNA
SCHEMBL5119935 0.82 GAA (0.53) SALL4GAAKDM4EMAPK1LMNA

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
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP claimed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO 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 SALL4 1775/4885GAA 234/4885KDM4E 1336/4885

“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.