SCHEMBL10275839

SCHEMBL10275839

N#Cc1ccc2c(c1)Oc1ncn(-c3ccccc3C(F)(F)F)c(=N)c1C2c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 17/20 0.44
▸ MYB P10242 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37
▸ AVPR1B P47901 1/20 0.36

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
SCHEMBL10275842 0.88 NPSR1 (0.48) NPSR1MYBLNPEPAVPR1B
SCHEMBL10275400 0.87 NPSR1 (0.47) NPSR1AVPR1B
SCHEMBL10275268 0.86 LNPEP (0.40) NPSR1MYBLNPEP
SCHEMBL10275509 0.86 NPSR1 (0.41) NPSR1MYBLNPEPAVPR1B
SCHEMBL10275522 0.84 LNPEP (0.42) NPSR1MYBLNPEP
SCHEMBL10275498 0.82 NPSR1 (0.46) NPSR1AVPR1B
SCHEMBL10275541 0.79 NPSR1 (0.39) NPSR1AVPR1B
SCHEMBL10275263 0.77 NPSR1 (0.40) NPSR1AVPR1B
SCHEMBL10276274 0.77 MEN1 (0.36) NPSR1AVPR1B
SCHEMBL10275280 0.76 MEN1 (0.38) NPSR1LNPEPAVPR1B

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 NPSR1 1168/4885MYB 4087/4885LNPEP 1944/4885

“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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