SCHEMBL10275902

SCHEMBL10275902

N=c1c2c(ncn1N)Oc1ccccc1C2c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 8/20 0.42
▸ EGFR P00533 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ AVPR1B P47901 1/20 0.36
▸ MYB P10242 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.35
▸ LMNA P02545 1/20 0.35

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 0.90 MEN1 (0.41) NPSR1EGFRMEN1KMT2APKM
SCHEMBL10275583 0.88 MEN1 (0.38) NPSR1EGFRMEN1KMT2APKM
SCHEMBL10313698 0.87 MEN1 (0.39) NPSR1EGFRMEN1KMT2APKM
SCHEMBL10275522 0.87 LNPEP (0.42) NPSR1EGFRMEN1KMT2APKM
SCHEMBL10276275 0.85 MEN1 (0.36) NPSR1EGFRMEN1KMT2APKM
SCHEMBL10276274 0.84 MEN1 (0.36) NPSR1EGFRMEN1KMT2APKM
SCHEMBL10313468 0.84 MYB (0.54) NPSR1MEN1KMT2AKDM4EMAPT
SCHEMBL10275696 0.83 NPSR1 (0.38) NPSR1EGFRAVPR1BLMNA
SCHEMBL10275884 0.77 NPSR1 (0.36) NPSR1MEN1KMT2AAVPR1B
SCHEMBL10313695 0.76 MEN1 (0.41) NPSR1MEN1KMT2APKMGPR55

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 1168/4885EGFR 2811/4885MEN1 4229/4885

“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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