SCHEMBL5116591

SCHEMBL5116591

Cc1cccn2c(NC(C)c3ccccc3)c(-c3ccc(C#Cc4ccccc4)s3)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 13/20 0.49
MAPT P10636 10/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 8/20 0.47
POLB P06746 1/20 0.47
NR1H4 Q96RI1 2/20 0.41
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 2/20 0.36
PKLR P30613 1/20 0.34

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
SCHEMBL5122967 0.85 ATP4A (0.41) GAAMAPTSMN1; SMN2TP53POLB
SCHEMBL5121581 0.83 GAA (0.52) GAAMAPTSMN1; SMN2TP53POLB
SCHEMBL5127878 0.83 MAPK14 (0.41) GAAMAPTSMN1; SMN2TP53NR1H4
SCHEMBL5129222 0.82 NR1H4 (0.46) GAAMAPTSMN1; SMN2TP53POLB
SCHEMBL5128146 0.81 NR1H4 (0.64) GAAMAPTSMN1; SMN2TP53NR1H4
SCHEMBL5122230 0.80 BRD4 (0.51) GAAMAPTSMN1; SMN2TP53NR1H4
SCHEMBL5119232 0.78 TP53 (0.48) GAAMAPTSMN1; SMN2TP53POLB
SCHEMBL5128541 0.77 GAA (0.46) GAAMAPTSMN1; SMN2TP53POLB
SCHEMBL5121120 0.77 MAPT (0.45) GAAMAPTSMN1; SMN2TP53POLB
SCHEMBL5122899 0.76 NR1H4 (0.42) GAAMAPTSMN1; SMN2POLBNR1H4

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 234/4885MAPT 707/4885SMN1; SMN2 1463/4885

“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.