SCHEMBL5114939

SCHEMBL5114939

Nc1c(-c2ccc(C#Cc3ccccn3)s2)nc2cnccn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.34
BRAF P15056 2/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 5/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 2/20 0.32
CDK9 P50750 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
GFER P55789 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
PARP1 P09874 1/20 0.30

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
Hydrochloric Acid SCHEMBL5128203 0.99 GRM5 (0.33) GRM5BRAFKCNH2GAAKDM4E
SCHEMBL5122928 0.88 PTGS2 (0.39) GRM5KCNH2GAAKDM4EMAPK1
SCHEMBL5121700 0.85 GAA (0.34) GRM5BRAFKCNH2GAAKDM4E
SCHEMBL5117468 0.85 GAA (0.39) GRM5BRAFGAAKDM4EMAPK1
SCHEMBL5121149 0.85 BRAF (0.36) GRM5BRAFGAAKDM4EMAPK1
Hydrochloric Acid SCHEMBL5121354 0.84 BRAF (0.36) GRM5BRAFGAAKDM4EMAPK1
SCHEMBL5123348 0.83 SALL4 (0.48) BRAFGAAKDM4EMAPK1CDK9
SCHEMBL5115068 0.83 GAA (0.35) GRM5BRAFGAAKDM4EMAPK1
Hydrochloric Acid SCHEMBL5124088 0.82 SALL4 (0.47) BRAFGAAKDM4EMAPK1CDK9
SCHEMBL5127776 0.79 GAA (0.47) BRAFGAAKDM4EMAPK1CDK9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1791840-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2007-06-06 EP disclosed
WO-2006029980-A1 SUBSTITUTED BICYCLIC IMIDAZO-3-YLAMINE COMPOUNDS Grünenthal GmbH (DE) 2006-03-23 WO 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 GRM5 3357/4885BRAF 2413/4885KCNH2 1105/4885

“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.