SCHEMBL5129077

SCHEMBL5129077

C#Cc1ccsc1-c1nc2cc(C)ccn2c1NCC1CCCCC1.c1cc2cc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.43
ALDH1A1 P00352 9/20 0.43
GAA P10253 8/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
ALOX5 P09917 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
GFER P55789 4/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5116941 0.88 ALOX5 (0.43) ATMALDH1A1GAAKDM4ESMN1; SMN2
SCHEMBL5124142 0.87 ALDH1A1 (0.33) ATMALDH1A1GAAMAPTKDM4E
SCHEMBL5122711 0.87 ALOX5 (0.41) ATMALDH1A1GAAMAPTKDM4E
SCHEMBL5128546 0.85 ALOX5 (0.41) ATMALDH1A1GAAMAPTKDM4E
SCHEMBL5119833 0.85 GAA (0.40) ALDH1A1GAAMAPTKDM4EMAPK1
SCHEMBL5124879 0.82 GAA (0.38) ALDH1A1GAAMAPTKDM4EMAPK1
SCHEMBL5127031 0.81 ALDH1A1 (0.50) ATMALDH1A1GAAMAPTKDM4E
SCHEMBL5130393 0.80 GAA (0.51) ATMALDH1A1GAAMAPTKDM4E
SCHEMBL5127697 0.79 MAPT (0.44) ATMALDH1A1GAAMAPTKDM4E
SCHEMBL5129230 0.77 NR1H4 (0.44) ATMALDH1A1GAAMAPTKDM4E

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 ATM 2844/4885ALDH1A1 2777/4885GAA 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.