SCHEMBL5117780

SCHEMBL5117780

Cc1c(C(=O)O)ccc2nc(-c3ccc(C#Cc4ccccc4)s3)c(NC(C)(C)CC(C)(C)C)n12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
CREBBP Q92793 2/20 0.33
POLB P06746 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5112880 0.80 IDO1 (0.33) IDO1CREBBP
SCHEMBL5121648 0.78 ADRA1B (0.45) IDO1CREBBPPOLBTP53MAPT
SCHEMBL5117777 0.78 BRD4 (0.41) IDO1POLBTP53MAPTBRD4
SCHEMBL5115584 0.77 GAA (0.46) IDO1POLBTP53MAPTBRD4
SCHEMBL5125223 0.76 GAA (0.49) IDO1CREBBPPOLBTP53MAPT
SCHEMBL1252674 0.75 IDO1 (0.63) IDO1CREBBPPOLBTP53MAPT
SCHEMBL5116819 0.73 SMN1; SMN2 (0.48) POLBTP53MAPTSMN1; SMN2
SCHEMBL5114372 0.73 GAA (0.43) IDO1TP53MAPTBRD4
SCHEMBL5121834 0.72 ADRA1B (0.34) IDO1POLBTP53MAPTSMN1; SMN2
SCHEMBL5112876 0.72 IDO1 (0.38) IDO1POLB

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 55/4885CREBBP 2054/4885POLB 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.