SCHEMBL5128069

SCHEMBL5128069

Cc1cccc(C#Cc2cccc(-c3nc4ccc(Cl)cn4c3NC(C)(C)C)c2)n1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.72
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
TOP2A P11388 1/20 0.53
BRD4 O60885 1/20 0.50
GRM5 P41594 2/20 0.49
BACE1 P56817 2/20 0.46

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
SCHEMBL5113411 0.87 TRPA1 (0.54) TRPA1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5119275 0.84 TRPA1 (0.61) TRPA1MEN1ALDH1A1KMT2AGRM5
SCHEMBL15720677 0.84 TRPA1 (1.00) TRPA1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5113404 0.84 TRPA1 (0.60) TRPA1ALDH1A1BACE1
SCHEMBL5125037 0.81 TRPA1 (0.46) TRPA1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5117290 0.81 BRD4 (0.50) TRPA1MEN1ALDH1A1KMT2ABRD4
SCHEMBL5114294 0.79 TRPA1 (0.57) TRPA1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5124502 0.79 TRPA1 (0.46) TRPA1MEN1ALDH1A1KMT2AGRM5
SCHEMBL5117981 0.78 MAPT (0.61) TRPA1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5117719 0.77 GAA (0.57) MEN1ALDH1A1MAPTKMT2AGRM5

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 TRPA1 3616/4885MEN1 1791/4885ALDH1A1 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.