SCHEMBL5148975

SCHEMBL5148975

Cn1nc(C#Cc2ccccc2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 2/20 0.43
NPC1 O15118 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
THPO P40225 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRM1 Q13255 1/20 0.42

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
SCHEMBL5149148 0.79 GRM5 (0.40) GRM5RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5149226 0.79 GRM5 (0.46) GRM5RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL22266115 0.72 ALDH1A1 (0.40) RAB9ASMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL17324993 0.69 HAO1 (0.48) GRM5APP
SCHEMBL3052517 0.69 NPC1 (0.42) GRM5RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7661794 0.68 GRM5 (0.68) GRM5RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL11142730 0.67 KMT2A (0.53) RAB9ASMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL3058250 0.64 KMT2A (0.46) GRM5RAB9AKDM4EALDH1A1NPC1
SCHEMBL11397967 0.64 HRH3 (0.54) RAB9ASMN1; SMN2KDM4EALDH1A1PKM
SCHEMBL6208911 0.64 GRM5 (0.45) GRM5RAB9ASMN1; SMN2KDM4EALDH1A1

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 GRM5 144/4885RAB9A 2206/4885SMN1; SMN2 1645/4885

“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.