SCHEMBL5147908

SCHEMBL5147908

Cn1nc(-c2nc(NCCc3ccccc3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.41
BRD4 O60885 2/20 0.40
HIF1A Q16665 1/20 0.40
APP P05067 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
PDE5A O76074 1/20 0.37
ADORA2A P29274 1/20 0.37
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5152582 0.95 BRD4 (0.39) BRD4HRH3ADORA2A
SCHEMBL5149284 0.89 ADORA3 (0.43) BRD4HIF1AADORA2APKMTP53
SCHEMBL5149121 0.88 ADORA2A (0.40) GSK3BBRD4BACE1ADORA2A
SCHEMBL5149018 0.88 TLR8 (0.46) CYP1A2CYP3A4CYP2C19TP53SMN1; SMN2
SCHEMBL5149223 0.87 HIF1A (0.47) HIF1AAPPCYP1A2ADORA2A
SCHEMBL5149119 0.87 GSK3B (0.39) GSK3BHIF1AAPPPDE5AADORA2A
SCHEMBL5151060 0.87 ADORA2A (0.39) CYP3A4ADORA2ATP53
SCHEMBL5149196 0.84 KAT2B (0.47) HRH3CYP3A4CYP2D6
SCHEMBL5152508 0.82 TLR9 (0.48) HIF1ACYP1A2CYP3A4CYP2D6ADORA2A
SCHEMBL5149173 0.82 HTR7 (0.37) TP53

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 GSK3B 688/4885BRD4 2661/4885HIF1A 416/4885

“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.