SCHEMBL6133921

SCHEMBL6133921

COc1ccc(C#Cc2ccccc2)nn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.57
KCNH2 Q12809 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
KMT2A Q03164 1/20 0.44
GRIN2B Q13224 1/20 0.44

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
SCHEMBL7661794 0.84 GRM5 (0.68) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6134437 0.76 GRM5 (0.36) GRM5KCNH2KDM4EACACB
SCHEMBL9855024 0.75 APP (0.59) GRM5KCNH2APPACACB
SCHEMBL6821195 0.74 GRM5 (0.56) GRM5APPACACBPDGFRBPDGFRA
SCHEMBL24078823 0.73 NNMT (0.36) GRM5KDM4EALDH1A1ACACB
SCHEMBL2521518 0.73 GRM5 (0.56) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2518837 0.73 GRM5 (0.56) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6822587 0.71 GRM5 (0.51) GRM5KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL24436467 0.70 NNMT (0.34) KDM4EALDH1A1ACACB
SCHEMBL4858200 0.70 PDGFRB (0.46) GRM5KCNH2NPC1RAB9ASMN1; SMN2

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 270/4885KCNH2 265/4885NPC1 4182/4885

“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.