SCHEMBL10275522

SCHEMBL10275522

N#Cc1ccc2c(c1)Oc1ncn(N)c(=N)c1C2c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 1/20 0.42
▸ NPSR1 Q6W5P4 5/20 0.41
▸ MYB P10242 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ GPR55 Q9Y2T6 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ ATM Q13315 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ABCC9 O60706 1/20 0.33

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
SCHEMBL10275268 0.89 LNPEP (0.40) LNPEPNPSR1MYBMAPTALDH1A1
SCHEMBL10313689 0.87 MEN1 (0.41) LNPEPNPSR1MAPTALDH1A1MEN1
SCHEMBL10275902 0.87 NPSR1 (0.42) LNPEPNPSR1MYBMAPTMEN1
SCHEMBL10275842 0.85 NPSR1 (0.48) LNPEPNPSR1MYB
SCHEMBL10275583 0.85 MEN1 (0.38) LNPEPNPSR1MAPTMEN1KMT2A
SCHEMBL10313698 0.84 MEN1 (0.39) LNPEPNPSR1MAPTMEN1KMT2A
SCHEMBL10275509 0.84 NPSR1 (0.41) LNPEPNPSR1MYBMAPTALDH1A1
SCHEMBL10275839 0.84 NPSR1 (0.44) LNPEPNPSR1MYB
SCHEMBL10313837 0.84 NPSR1 (0.41) NPSR1MEN1KMT2AGPR55PKM
SCHEMBL10276275 0.82 MEN1 (0.36) LNPEPNPSR1MAPTALDH1A1MEN1

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US claimed

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 LNPEP 1944/4885NPSR1 1168/4885MYB 4087/4885

“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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