SCHEMBL5149090

SCHEMBL5149090

CC(C)n1nc(-c2nc(NCCc3ccccn3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TLR9 Q9NR96 1/20 0.38
MAOB P27338 1/20 0.38
GBA1 P04062 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
AURKA O14965 1/20 0.35
CYP1A2 P05177 2/20 0.35
PIK3CD O00329 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C19 P33261 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PGK1 P00558 1/20 0.35
APP P05067 2/20 0.34
ACP1 P24666 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5147963 0.91 HIF1A (0.43) HIF1AADORA2AADORA1ALDH1A1
SCHEMBL5149223 0.88 HIF1A (0.47) HIF1AADORA2AADORA1TLR9MAOB
SCHEMBL5149119 0.88 GSK3B (0.39) HIF1AADORA2AADORA1MAOBALDH1A1
SCHEMBL5149173 0.85 HTR7 (0.37) HTR7
SCHEMBL6482611 0.85 HIF1A (0.38) HIF1AADORA2AADORA1MAOBALDH1A1
SCHEMBL5150946 0.84 TLR8 (0.44) CYP1A2ALDH1A1CYP2C19ACP1CYP3A4
SCHEMBL5152634 0.83 P2RX3 (0.37) CYP1A2ALDH1A1CYP2C19F2CYP3A4
SCHEMBL5149145 0.83 CALCA (0.39) TLR9ACP1
SCHEMBL5149144 0.82 LDHA (0.39) HIF1AADORA1F2
SCHEMBL5147928 0.82 MEN1 (0.42) ADORA2AADORA1CYP1A2ALDH1A1CYP2C19

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 HIF1A 416/4885ADORA2A 1/4885ADORA1 3/4885

“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.