SCHEMBL5149148

SCHEMBL5149148

CCn1nc(C#Cc2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRM1 Q13255 1/20 0.39

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
SCHEMBL5148975 0.79 GRM5 (0.46) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5149226 0.75 GRM5 (0.46) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4054492 0.70 HTT (0.62) SMN1; SMN2KDM4EMEN1ALDH1A1TP53
Bromide SCHEMBL5751833 0.69 HTT (0.61) SMN1; SMN2KDM4EMEN1ALDH1A1TP53
SCHEMBL10196841 0.66 GAA (0.40) SMN1; SMN2KDM4EMEN1ALDH1A1TP53
SCHEMBL9362665 0.66 HRH3 (0.36) SMN1; SMN2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL21384024 0.66 MARS1 (0.43) NPC1SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL17723466 0.65 PTGS2 (0.36) SMN1; SMN2KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL12877231 0.65 TSHR (0.37) SMN1; SMN2KDM4EMEN1ALDH1A1HPGD
SCHEMBL7661794 0.65 GRM5 (0.68) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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 144/4885NPC1 1692/4885RAB9A 2206/4885

“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.