SCHEMBL6134437

SCHEMBL6134437

COc1ccc(C#Cc2ccccc2Br)nn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.36
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.33
ACACB O00763 1/20 0.31
NNMT P40261 1/20 0.31
KCNH2 Q12809 2/20 0.31
SLC16A3 O15427 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
SCHEMBL6133921 0.76 GRM5 (0.57) GRM5KDM4EACACBKCNH2
SCHEMBL30468202 0.72 FFAR1 (0.47) KDM4EFFAR1KCNH2
SCHEMBL2466535 0.72 FFAR1 (0.47) KDM4EFFAR1KCNH2
SCHEMBL27165265 0.72 GRM5 (0.49) GRM5FFAR1
SCHEMBL24078823 0.68 NNMT (0.36) GRM5KDM4EACACBNNMT
SCHEMBL29038518 0.68 NQO2 (0.39) GRM5FFAR1
SCHEMBL12424795 0.67 GRM5 (0.55) GRM5KCNH2
SCHEMBL24436467 0.66 NNMT (0.34) KDM4EACACBNNMT
SCHEMBL24078822 0.65 PDE2A (0.47) GRM5KDM4ENNMT
SCHEMBL2079638 0.65 NQO1 (0.43) KDM4ENNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ASTELLAS PHARMA INC. (JP) 2005-02-24 US disclosed
WO-2003057689-A1 AMINOPYRIMIDINE COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-17 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-20050043315-A1 Aminopyrimidine compounds, processes for their preparation and pharmaceutical compositions containing them ADORA2B, ADORA2A, ADORA1 GRM5 270/4885KDM4E 3364/4885FFAR1 1827/4885

“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.