SCHEMBL5115593

SCHEMBL5115593

C#Cc1ccsc1-c1nc2ccc(Cl)cn2c1NC(C)(C)CC(C)(C)C.c1cc2cc-2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 8/20 0.47
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 2/20 0.41
TOP2A P11388 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.38
BRD4 O60885 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
BACE1 P56817 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 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
SCHEMBL5121652 0.88 IDO1 (0.46) TRPA1MAPTTP53POLBALDH1A1
SCHEMBL5120753 0.87 TRPA1 (0.40) TRPA1MAPTTP53POLBIDO1
SCHEMBL5125228 0.83 GAA (0.51) MAPTTP53POLBALDH1A1MEN1
SCHEMBL5115175 0.81 TRPA1 (0.49) TRPA1MAPTTP53POLBALDH1A1
SCHEMBL5122934 0.77 GAA (0.51) MAPTTP53POLBALDH1A1MEN1
SCHEMBL5118669 0.77 IDO1 (0.44) MAPTTP53POLBALDH1A1MEN1
Pyridine SCHEMBL5128233 0.74 GAA (0.48) MAPTTP53POLBALDH1A1MEN1
SCHEMBL5127406 0.73 SALL4 (0.46) TRPA1POLBALDH1A1MEN1KMT2A
SCHEMBL5127780 0.72 GAA (0.50) MAPTTP53POLBALDH1A1MEN1
SCHEMBL5114294 0.71 TRPA1 (0.57) TRPA1MAPTTP53POLBALDH1A1

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 3616/4885MAPT 707/4885TP53 2432/4885

“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.