SCHEMBL5147928

SCHEMBL5147928

CC(=O)NCCNc1nc(-c2ccc(=O)n(C(C)C)n2)c(-c2ccccc2)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HSD17B10 Q99714 4/20 0.38
CYP1A2 P05177 6/20 0.38
CYP3A4 P08684 6/20 0.38
CLK4 Q9HAZ1 4/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 2/20 0.36
CYP2D6 P10635 5/20 0.36
POLB P06746 2/20 0.36
CYP2C19 P33261 2/20 0.36
ILK Q13418 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
RECQL P46063 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
SCHEMBL5149119 0.86 GSK3B (0.39) TP53ADORA2AADORA1KDM4EALDH1A1
SCHEMBL5150946 0.86 TLR8 (0.44) TP53HSD17B10CYP1A2CYP3A4KDM4E
SCHEMBL5149145 0.85 CALCA (0.39) MEN1KMT2ATP53KDM4E
SCHEMBL5152634 0.85 P2RX3 (0.37) MEN1KMT2ATP53CYP1A2CYP3A4
SCHEMBL5149173 0.85 HTR7 (0.37) TP53
SCHEMBL5149144 0.84 LDHA (0.39) TP53ADORA1HSD17B10TSHRKDM4E
SCHEMBL5150823 0.82 KDM4E (0.39) TP53CYP1A2CYP3A4TSHRKDM4E
SCHEMBL5149090 0.82 HIF1A (0.45) ADORA2AADORA1CYP1A2CYP3A4CYP2C19
SCHEMBL5152713 0.82 ACHE (0.43) MEN1KMT2AADORA2AADORA1CYP3A4
SCHEMBL5152430 0.80 ADORA2A (0.46) MEN1KMT2AADORA2AADORA1CYP1A2

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-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
CN-1938296-A Pyrazine derivatives and pharmaceutical use thereof as adenosine antagonists ASTELLAS PHARMA INC (JP) 2007-03-28 CN 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 MEN1 4204/4885KMT2A 1528/4885TP53 2221/4885

“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.