SCHEMBL10313698

SCHEMBL10313698

[C-]#[N+]c1ccc2c(c1)Oc1ncn(N)c(=N)c1C2c1cccc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GPR55 Q9Y2T6 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPSR1 Q6W5P4 8/20 0.35
▸ LNPEP Q9UIQ6 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ ATM Q13315 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ P4HB P07237 1/20 0.33
▸ AVPR1B P47901 1/20 0.32

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
SCHEMBL10313689 0.87 MEN1 (0.41) MEN1KMT2AGPR55PKMMAPT
SCHEMBL10275902 0.87 NPSR1 (0.42) MEN1KMT2AGPR55PKMMAPT
SCHEMBL10313697 0.85 KMT2A (0.39) MEN1KMT2AGPR55PKMMAPT
SCHEMBL10275583 0.85 MEN1 (0.38) MEN1KMT2AGPR55PKMMAPT
SCHEMBL10275522 0.84 LNPEP (0.42) MEN1KMT2AGPR55PKMMAPT
SCHEMBL10276275 0.82 MEN1 (0.36) MEN1KMT2AGPR55PKMMAPT
SCHEMBL10276274 0.80 MEN1 (0.36) MEN1KMT2AGPR55PKMMAPT
SCHEMBL10275696 0.78 NPSR1 (0.38) NPSR1EGFRAVPR1B
SCHEMBL10313468 0.78 MYB (0.54) MEN1KMT2AMAPTTDP1NPSR1
SCHEMBL10313695 0.74 MEN1 (0.41) MEN1KMT2AGPR55PKMMAPT

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 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 MEN1 4229/4885KMT2A 4649/4885GPR55 2279/4885

“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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