SCHEMBL5115034

SCHEMBL5115034

COC(=O)CNc1c(-c2ccc(C#Cc3ccccc3)s2)nc2cnccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.47
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
ALOX15 P16050 2/20 0.47
BRD4 O60885 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GFER P55789 1/20 0.42
CDK9 P50750 1/20 0.41
SALL4 Q9UJQ4 4/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL5121533 0.91 CDK9 (0.43) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5118754 0.86 CDK9 (0.45) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5129310 0.84 CDK9 (0.44) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5114305 0.84 KDM4E (0.40) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5115525 0.84 GAA (0.34) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5121028 0.84 CDK9 (0.45) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5130358 0.83 CDK9 (0.60) GAAKDM4EALDH1A1BRD4NPC1
SCHEMBL5113507 0.83 GAA (0.43) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5128028 0.83 BRD4 (0.48) GAAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5120229 0.83 CDK9 (0.50) GAAKDM4EALDH1A1BRD4GFER

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 GAA 234/4885KDM4E 1336/4885ALDH1A1 2777/4885

“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.