SCHEMBL5147969

SCHEMBL5147969

CCn1nc(-c2nc(C#N)c(C#N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
KDM5A P29375 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CHEK1 O14757 1/20 0.39
ABL1 P00519 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
GRK5 P34947 1/20 0.39
KDR P35968 1/20 0.39
MAP2K2 P36507 1/20 0.39
CDK8 P49336 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
SCHEMBL5152435 0.92 USP8 (0.43) HTTMEN1KMT2APDE4APDE4B
SCHEMBL5149040 0.83 BRD4 (0.42) HTTMEN1KMT2AKDM5AALDH1A1
SCHEMBL5149125 0.81 ALDH1A1 (0.46) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL5152899 0.80 USP8 (0.40) KDM5APOLBALDH1A1CHEK1ABL1
SCHEMBL4054492 0.78 HTT (0.62) HTTMEN1KMT2APOLBALDH1A1
SCHEMBL27659527 0.78 HTT (0.47) HTTMEN1KMT2APDE4APDE4B
SCHEMBL5147930 0.77 ADORA2A (0.43) HTTMEN1KMT2APOLBKDM4E
Bromide SCHEMBL5751833 0.76 HTT (0.61) HTTMEN1KMT2APOLBALDH1A1
SCHEMBL5147917 0.76 ADORA2A (0.48) HTTALDH1A1CHEK1ABL1PDGFRB
SCHEMBL5149222 0.75 HTT (0.44) HTTMEN1KMT2AKDM4ESMN1; SMN2

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 HTT 20/4885MEN1 4204/4885KMT2A 1528/4885

“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.