SCHEMBL17354760

SCHEMBL17354760

Nc1nc(-n2cnc3c(N)ncnc32)c(N)nc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 12/20 0.50
▸ PI4K2B Q8TCG2 12/20 0.50
▸ PI4K2A Q9BTU6 12/20 0.50
▸ PI4KB Q9UBF8 12/20 0.50
▸ EGFR P00533 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ ADORA2A P29274 3/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ HIF1A Q16665 1/20 0.40
▸ AHCY P23526 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ ADORA2B P29275 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
SCHEMBL17354662 0.88 ADORA2A (0.48) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL17354759 0.77 XDH (0.56) —
SCHEMBL27599134 0.70 GSK3B (0.69) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5146335 0.67 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL5360808 0.67 ADORA2A (0.59) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL17802561 0.67 CFTR (0.66) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL458772 0.66 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL4449476 0.66 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL588905 0.66 TDP1 (0.44) ALDH1A1ADORA2AHIF1A
SCHEMBL2346678 0.65 GSK3B (0.67) PI4KAPI4K2BPI4K2API4KBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370362-B2 Pyrazine derivatives with extended conjugation and methods of using the same in optical applications MEDIBEACON INC. (US) 2019-08-06 — — US disclosed
US-20190194172-A1 PYRAZINE DERIVATIVES WITH EXTENDED CONJUGATION AND METHODS OF USING THE SAME IN OPTICAL APPLICATIONS MEDIBEACON INC (US) 2019-06-27 — — US disclosed
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 (3 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-10370362-B2 Pyrazine derivatives with extended conjugation and methods of using the same in optical applications CYP3A5, PAICS, CYP3A43 PI4KA 3810/4885PI4K2B 3876/4885PI4K2A 3621/4885
US-20160090376-A1 PYRAZINE DERIVATIVES WITH EXTENDED CONJUGATION AND METHODS OF USING THE SAME IN OPTICAL APPLICATIONS CYP3A5, PAICS, CYP3A43 PI4KA 3810/4885PI4K2B 3876/4885PI4K2A 3621/4885
US-20190194172-A1 PYRAZINE DERIVATIVES WITH EXTENDED CONJUGATION AND METHODS OF USING THE SAME IN OPTICAL APPLICATIONS CYP3A5, PAICS, CYP3A43 PI4KA 3810/4885PI4K2B 3876/4885PI4K2A 3621/4885

“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.

Send feedback