SCHEMBL10313467

SCHEMBL10313467

Cn1cnc2c(c1=N)C(c1cccc([N+](=O)[O-])c1)c1ccc3ccccc3c1O2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 4/20 0.56
▸ ATM Q13315 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 7/20 0.54
▸ KMT2A Q03164 7/20 0.54
▸ MYB P10242 1/20 0.53
▸ NPSR1 Q6W5P4 8/20 0.52
▸ HTT P42858 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.51
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.48
▸ SLC2A1 P11166 1/20 0.48
▸ ACHE P22303 1/20 0.46
▸ AVPR1B P47901 1/20 0.44

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
SCHEMBL10313468 0.90 MYB (0.54) RAD52ATMMAPTMEN1KMT2A
SCHEMBL10313469 0.82 MYB (0.53) RAD52ATMMAPTMEN1KMT2A
SCHEMBL10313474 0.80 HPGD (0.51) RAD52ATMMAPTMEN1KMT2A
SCHEMBL10313471 0.80 MYB (0.44) RAD52ATMMAPTMEN1KMT2A
SCHEMBL10313799 0.77 MYB (0.50) RAD52ATMMAPTMEN1KMT2A
SCHEMBL10313472 0.77 HPGD (0.50) ATMMAPTMEN1KMT2AMYB
SCHEMBL10275902 0.74 NPSR1 (0.42) MAPTMEN1KMT2AMYBNPSR1
SCHEMBL10313689 0.72 MEN1 (0.41) ATMMAPTMEN1KMT2ANPSR1
SCHEMBL8541683 0.71 MYB (0.67) MAPTMEN1KMT2AMYBHTT
SCHEMBL8543444 0.70 MYB (0.70) MAPTMEN1KMT2AMYBHTT

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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 — — WO 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 RAD52 2408/4885ATM 1770/4885MAPT 750/4885

“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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