SCHEMBL5121652

SCHEMBL5121652

C#Cc1ccsc1-c1nc2ccccn2c1NC(C)(C)CC(C)(C)C.c1cc2cc-2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
ADRA1B P35368 1/20 0.44
BACE1 P56817 4/20 0.41
BACE2 Q9Y5Z0 4/20 0.41
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TOP2A P11388 1/20 0.37
TRPA1 O75762 1/20 0.35
BRD4 O60885 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRIM24 O15164 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
SCHEMBL5118669 0.89 IDO1 (0.44) IDO1ADRA1BBACE1BACE2POLB
SCHEMBL5125228 0.89 GAA (0.51) IDO1POLBTP53MAPTKMT2A
SCHEMBL5115593 0.88 TRPA1 (0.47) IDO1BACE1POLBTP53MAPT
SCHEMBL5120753 0.83 TRPA1 (0.40) IDO1POLBTP53MAPTTRPA1
SCHEMBL5122934 0.82 GAA (0.51) IDO1POLBTP53MAPTKMT2A
Pyridine SCHEMBL5128233 0.79 GAA (0.48) IDO1POLBTP53MAPTKMT2A
SCHEMBL5122321 0.79 KDM4E (0.40) TP53MAPTKMT2AGAAMEN1
SCHEMBL5113157 0.79 NR1H4 (0.42) TP53MAPTKMT2AGAAALDH1A1
Hydrochloric Acid SCHEMBL5129013 0.79 ADRA1B (0.52) IDO1ADRA1BBACE1BACE2KMT2A
SCHEMBL5127406 0.78 SALL4 (0.46) IDO1ADRA1BBACE1BACE2POLB

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 IDO1 55/4885ADRA1B 609/4885BACE1 3684/4885

“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.