SCHEMBL17354759

SCHEMBL17354759

Nc1nc2c(ncn2-c2nc(N)c(C(=O)O)nc2N)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 9/20 0.56
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PNP P00491 3/20 0.44
▸ TK1 P04183 1/20 0.44
▸ HPRT1 P00492 4/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ EDNRA P25101 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HBB P68871 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ AKR1B1 P15121 1/20 0.43

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 0.77 PI4KA (0.50) —
SCHEMBL27541246 0.73 XDH (0.58) XDHMEN1KMT2APNPTK1
SCHEMBL2983847 0.72 XDH (0.57) XDHMEN1KMT2APNPTK1
SCHEMBL1286945 0.72 XDH (1.00) XDHMEN1KMT2APNPTK1
Water SCHEMBL9697806 0.71 XDH (0.56) XDHMEN1KMT2APNPTK1
Hydrochloric Acid SCHEMBL21799342 0.71 XDH (0.97) XDHMEN1KMT2APNPTK1
SCHEMBL27923065 0.70 XDH (0.55) XDHMEN1KMT2APNPTK1
SCHEMBL986800 0.69 XDH (0.60) XDHMEN1KMT2APNPTK1
SCHEMBL4446276 0.69 XDH (0.54) XDHMEN1KMT2APNPTK1
SCHEMBL455494 0.69 PNP (0.64) MEN1KMT2APNPTK1HPRT1

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-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-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 (2 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 XDH 416/4885MEN1 1265/4885KMT2A 3849/4885
US-20160090376-A1 PYRAZINE DERIVATIVES WITH EXTENDED CONJUGATION AND METHODS OF USING THE SAME IN OPTICAL APPLICATIONS CYP3A5, PAICS, CYP3A43 XDH 416/4885MEN1 1265/4885KMT2A 3849/4885

“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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