SCHEMBL5116745

SCHEMBL5116745

COc1ccc(CNc2c(-c3ccc(C#Cc4ccccc4)s3)nc3nc(C)ccn23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.43
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
PDE2A O00408 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NCF1 P14598 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 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
SCHEMBL5118324 0.91 ALDH1A1 (0.42) NR1H4MAPTALDH1A1GAARAB9A
SCHEMBL5122351 0.86 SMN1; SMN2 (0.38) MAPTALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL5130390 0.86 GAA (0.55) NR1H4MAPTALDH1A1GAARAB9A
SCHEMBL5127654 0.85 NR1H4 (0.51) NR1H4MAPTALDH1A1GAARAB9A
SCHEMBL5121120 0.84 MAPT (0.45) NR1H4MAPTALDH1A1GAARAB9A
SCHEMBL5119525 0.83 NR1H4 (0.65) NR1H4ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL5120229 0.82 CDK9 (0.50) NR1H4MAPTALDH1A1GAAKDM4E
SCHEMBL5123589 0.80 NR1H4 (0.42) NR1H4MAPTALDH1A1GAARAB9A
SCHEMBL5113697 0.80 NR1H4 (0.43) NR1H4MAPTALDH1A1GAARAB9A
SCHEMBL5127878 0.77 MAPK14 (0.41) NR1H4MAPTALDH1A1GAARAB9A

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 NR1H4 2683/4885MAPT 707/4885ALDH1A1 2777/4885

“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.