SCHEMBL5115036

SCHEMBL5115036

C#Cc1ccsc1-c1nc2cnccn2c1NCC(=O)OC.c1cc2cc-2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.49
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
ALOX15 P16050 2/20 0.47
BRD4 O60885 2/20 0.43
TRPA1 O75762 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 5/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39

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
SCHEMBL5121542 0.91 GAA (0.43) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5118759 0.87 CDK9 (0.41) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5129311 0.86 PLAU (0.42) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5114310 0.85 SYK (0.40) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5113515 0.85 GAA (0.41) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5121032 0.84 CDK9 (0.41) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5115533 0.84 GAA (0.38) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5128033 0.84 BRD4 (0.48) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5120236 0.84 SALL4 (0.47) GAAKDM4EALDH1A1HPGDBRD4
SCHEMBL5122857 0.83 BRD4 (0.45) GAAKDM4EALDH1A1HPGDHSD17B10

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.