SCHEMBL6483231

SCHEMBL6483231

CN(C)c1nc(-c2ccc(=O)n(C)n2)c(-c2ccccc2)nc1N.Cn1nc(-c2nc(NCc3ccccn3)c(N)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.40
KCNH2 Q12809 4/20 0.39
ADORA2A P29274 4/20 0.37
ATAD2 Q6PL18 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ADORA1 P30542 2/20 0.36
ADORA2B P29275 1/20 0.36
HCRTR1 O43613 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
PDE5A O76074 2/20 0.36
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL5149160 0.93 HIF1A (0.45) HIF1AKCNH2ADORA2AATAD2KDM4E
SCHEMBL6482611 0.89 HIF1A (0.38) HIF1AKCNH2ADORA2AATAD2KDM4E
SCHEMBL5149223 0.84 HIF1A (0.47) HIF1AADORA2AADORA1ADORA2BMAOB
SCHEMBL5148994 0.83 BRD4 (0.39) HIF1AADORA2AKDM4EADORA1ADORA2B
SCHEMBL6494839 0.83 HIF1A (0.41) HIF1AADORA2AKDM4EMEN1KMT2A
SCHEMBL5147963 0.81 HIF1A (0.43) HIF1AKCNH2ADORA2AATAD2KDM4E
SCHEMBL5149284 0.81 ADORA3 (0.43) HIF1AADORA2AADORA1ALDH1A1LMNA
SCHEMBL6134701 0.78 ADORA2A (0.46) HIF1AKCNH2ADORA2AATAD2KDM4E
SCHEMBL5149121 0.76 ADORA2A (0.40) ADORA2AMEN1KMT2AADORA1ADORA2B
SCHEMBL5148992 0.76 ADORA2A (0.42) ADORA2AKDM4EMEN1KMT2AALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 416/4885KCNH2 86/4885ADORA2A 1/4885

“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.