SCHEMBL5113149

SCHEMBL5113149

Clc1ccccc1CNc1c(-c2ccc(C#Cc3ccccc3)s2)nc2ccccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.46
PKM P14618 2/20 0.42
MAPT P10636 5/20 0.39
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 1/20 0.39
PKLR P30613 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SALL4 Q9UJQ4 1/20 0.37
PLAU P00749 2/20 0.37
TRIM33 Q9UPN9 3/20 0.36
TRIM24 O15164 1/20 0.36

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
SCHEMBL5128007 0.87 NR1H4 (0.52) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5128091 0.86 NR1H4 (0.53) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5122315 0.86 NR1H4 (0.44) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5120861 0.81 MAPT (0.35) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5127654 0.80 NR1H4 (0.51) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5117116 0.78 NR1H4 (0.48) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5127691 0.77 GAA (0.48) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5121648 0.76 ADRA1B (0.45) NR1H4PKMMAPTGAASMN1; SMN2
SCHEMBL5130358 0.76 CDK9 (0.60) NR1H4MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL5128384 0.75 NR1H4 (0.51) NR1H4MAPTGAASMN1; SMN2ALDH1A1

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 NR1H4 2683/4885PKM 196/4885MAPT 707/4885

“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.