SCHEMBL5128014

SCHEMBL5128014

C#Cc1ccsc1-c1nc2cc(CC)ccn2c1NCc1ccccc1Cl.c1cc2cc-2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.49
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
ATM Q13315 2/20 0.33
PLAU P00749 1/20 0.33

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
SCHEMBL5128392 0.90 NR1H4 (0.47) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5113157 0.88 NR1H4 (0.42) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5117444 0.85 NR1H4 (0.49) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5121637 0.82 NR1H4 (0.41) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5127697 0.81 MAPT (0.44) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5120867 0.80 MAPT (0.36) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5122321 0.79 KDM4E (0.40) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5127031 0.78 ALDH1A1 (0.50) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5130393 0.77 GAA (0.51) NR1H4KDM4EALDH1A1GAAMAPT
SCHEMBL5130362 0.76 CDK9 (0.57) NR1H4KDM4EALDH1A1GAAMAPT

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 2683/4885KDM4E 1336/4885ALDH1A1 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.