SCHEMBL5114294

SCHEMBL5114294

CC(C)(C)CC(C)(C)Nc1c(-c2cccc(C#Cc3ccccn3)c2)nc2ccc(Cl)cn12

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.57
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
TP53 P04637 1/20 0.44
TOP2A P11388 1/20 0.43
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
BACE1 P56817 2/20 0.42
GAA P10253 3/20 0.41
GFER P55789 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
PSMD14 O00487 1/20 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
SCHEMBL5118408 0.88 ADRA1B (0.47) TRPA1MAPTPOLBTP53TOP2A
SCHEMBL5115598 0.84 GAA (0.57) TRPA1MAPTPOLBMEN1ALDH1A1
SCHEMBL5117154 0.82 GAA (0.42) MAPTPOLBMEN1ALDH1A1KMT2A
SCHEMBL5121164 0.82 GAA (0.52) TRPA1MAPTTP53MEN1ALDH1A1
SCHEMBL5129498 0.82 GAA (0.42) TRPA1MAPTPOLBTP53TOP2A
SCHEMBL5127736 0.81 TRPA1 (0.42) TRPA1MAPTPOLBMEN1ALDH1A1
SCHEMBL5117981 0.80 MAPT (0.61) TRPA1MAPTTP53TOP2AMEN1
SCHEMBL5128069 0.79 TRPA1 (0.72) TRPA1MAPTTOP2AMEN1ALDH1A1
SCHEMBL5121161 0.79 TRPA1 (0.60) TRPA1MAPTALDH1A1BACE1GAA
SCHEMBL5120431 0.78 ADRA1B (0.47) TRPA1MAPTPOLBTP53MEN1

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 9 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
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 TRPA1 3616/4885MAPT 707/4885POLB 2896/4885

“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.