SCHEMBL4583921

SCHEMBL4583921

N#Cc1nc(-c2ccc(=O)[nH]c2)c(-c2ccccc2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP8 P40818 1/20 0.50
XDH P47989 1/20 0.43
KDM5A P29375 2/20 0.41
ADORA1 P30542 8/20 0.41
CHUK O15111 1/20 0.40
ADORA2A P29274 7/20 0.40
ERBB2 P04626 1/20 0.40
MCL1 Q07820 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATR Q13535 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL28823015 0.83 USP8 (0.58) USP8ADORA1ADORA2AERBB2HSD17B10
SCHEMBL4585033 0.79 ATR (0.46) XDHADORA2AATRALDH1A1KDM4E
SCHEMBL28822945 0.77 KDM4E (0.53) USP8ADORA1ADORA2AERBB2HSD17B10
SCHEMBL28823036 0.77 ADORA1 (0.61) USP8ADORA1ADORA2AERBB2HSD17B10
SCHEMBL28822974 0.77 ADORA1 (0.61) USP8ADORA1ADORA2AERBB2HSD17B10
SCHEMBL28822972 0.77 KDM4E (0.53) USP8ADORA1ADORA2AERBB2HSD17B10
SCHEMBL4583299 0.77 ATR (0.47) XDHADORA2AATRALDH1A1KDM4E
SCHEMBL4585480 0.74 USP8 (0.48) USP8XDHADORA1ADORA2AHSD17B10
SCHEMBL28823040 0.74 DPP4 (0.51) USP8ADORA1ADORA2AHSD17B10ALDH1A1
SCHEMBL28822970 0.74 ADORA1 (0.64) USP8ADORA1ADORA2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407961-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2008-08-05 US disclosed
CN-1871231-A Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC (JP) 2006-11-29 CN disclosed
US-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-26 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-20050113387-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, P2RX5, ADORA1 USP8 4884/4885XDH 474/4885KDM5A 2132/4885

“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.