SCHEMBL5129074

SCHEMBL5129074

Cc1ccn2c(NCC3CCCCC3)c(-c3ccc(C#Cc4ccccc4)s3)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.46
ALDH1A1 P00352 9/20 0.46
MAPT P10636 8/20 0.46
KDM4E B2RXH2 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NR1H4 Q96RI1 2/20 0.42
PKM P14618 1/20 0.42
PKLR P30613 1/20 0.42
GFER P55789 4/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 3/20 0.39

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
SCHEMBL5116936 0.87 NR1H4 (0.44) GAAALDH1A1NR1H4GFERALOX5
SCHEMBL5124135 0.86 MEN1 (0.36) GAAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5122706 0.85 CDK9 (0.41) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL5128541 0.83 GAA (0.46) GAAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5119818 0.82 PKM (0.41) GAAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5124867 0.81 GAA (0.40) GAAALDH1A1MAPTKDM4EMAPK1
SCHEMBL5127028 0.81 GAA (0.56) GAAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5127334 0.80 GAA (0.60) GAAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5127691 0.79 GAA (0.48) GAAALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL5130390 0.79 GAA (0.55) GAAALDH1A1MAPTKDM4ESMN1; 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 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 GAA 234/4885ALDH1A1 2777/4885MAPT 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.