SCHEMBL5149196

SCHEMBL5149196

Cn1nc(-c2nc(NCCN3CCCCC3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.47
ACHE P22303 2/20 0.46
HRH3 Q9Y5N1 2/20 0.44
ACP1 P24666 2/20 0.43
SMARCA2 P51531 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TOP2A P11388 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TLR9 Q9NR96 1/20 0.39
RAD52 P43351 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
SCHEMBL5152508 0.91 TLR9 (0.48) ACHEACP1MEN1KMT2ACYP3A4
SCHEMBL5152713 0.89 ACHE (0.43) KAT2BACHEACP1SMARCA2MEN1
SCHEMBL5149121 0.85 ADORA2A (0.40) ACHEMEN1KMT2AMAPTALDH1A1
SCHEMBL5149018 0.84 TLR8 (0.46) ACP1CYP3A4ALDH1A1
SCHEMBL5147908 0.84 GSK3B (0.41) HRH3CYP3A4CYP2D6
SCHEMBL5152582 0.83 BRD4 (0.39) HRH3
SCHEMBL5151060 0.83 ADORA2A (0.39) KAT2BMEN1KMT2ACYP3A4GAA
SCHEMBL5149284 0.82 ADORA3 (0.43) MAPTALDH1A1
SCHEMBL5152430 0.80 ADORA2A (0.46) ACHEACP1MEN1KMT2ACYP3A4
SCHEMBL5149223 0.80 HIF1A (0.47) TLR9

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 KAT2B 670/4885ACHE 33/4885HRH3 43/4885

“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.