SCHEMBL17354662

SCHEMBL17354662

CC(=O)c1nc(N)c(-n2cnc3c(N)ncnc32)nc1N

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ PI4KA P42356 13/20 0.46
▸ PI4K2B Q8TCG2 13/20 0.46
▸ PI4K2A Q9BTU6 13/20 0.46
▸ PI4KB Q9UBF8 13/20 0.46
▸ EGFR P00533 1/20 0.46
▸ GSK3B P49841 1/20 0.43
▸ AHCY P23526 3/20 0.42
▸ ADORA2B P29275 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17354760 0.88 PI4KA (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3630349 0.69 GSK3B (0.65) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL106573 0.66 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28210687 0.66 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL14125909 0.66 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27713663 0.66 EGFR (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL17354759 0.66 XDH (0.56) —
SCHEMBL17802561 0.66 CFTR (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL27599134 0.66 GSK3B (0.69) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28406876 0.65 ADORA2A (0.50) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-20160090376-A1 PYRAZINE DERIVATIVES WITH EXTENDED CONJUGATION AND METHODS OF USING THE SAME IN OPTICAL APPLICATIONS MALLINCKRODT INC. 2016-03-31 — — US disclosed
US-9216963-B2 Pyrazine derivatives with extended conjugation and methods of using the same in optical applications MEDIBEACON INC. (US) 2015-12-22 — — 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-20160090376-A1 PYRAZINE DERIVATIVES WITH EXTENDED CONJUGATION AND METHODS OF USING THE SAME IN OPTICAL APPLICATIONS CYP3A5, PAICS, CYP3A43 ADORA2A 484/4885ADORA1 1846/4885PI4KA 3810/4885

“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.

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