SCHEMBL5113721

SCHEMBL5113721

Fc1ccc(Nc2c(-c3ccc(C#Cc4ccccc4)s3)nc3cc(CCCc4ccccc4)ccn23)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.37
MAPT P10636 6/20 0.34
GAA P10253 5/20 0.34
TP53 P04637 3/20 0.34
RAB9A P51151 3/20 0.33
PKM P14618 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKLR P30613 1/20 0.31

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
SCHEMBL5121630 0.82 NR1H4 (0.45) NR1H4MAPTGAATP53RAB9A
SCHEMBL5118233 0.76 GAA (0.41) MAPTGAATP53PKMSMN1; SMN2
SCHEMBL5113724 0.73 NR1H4 (0.35) NR1H4MAPTGAATP53RAB9A
SCHEMBL5127028 0.73 GAA (0.56) NR1H4MAPTGAATP53RAB9A
SCHEMBL5117440 0.69 NR1H4 (0.54) NR1H4MAPTGAARAB9ASMN1; SMN2
SCHEMBL5128384 0.68 NR1H4 (0.51) NR1H4MAPTGAARAB9ASMN1; SMN2
SCHEMBL5128007 0.68 NR1H4 (0.52) NR1H4MAPTGAARAB9APKM
SCHEMBL5118175 0.68 MAPT (0.39) MAPTGAATP53PKMSMN1; SMN2
SCHEMBL5127334 0.67 GAA (0.60) NR1H4MAPTGAATP53RAB9A
SCHEMBL5119935 0.66 GAA (0.53) MAPTGAATP53PKMSMN1; SMN2

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 7 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

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 707/4885GAA 234/4885

“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.