SCHEMBL10313633

SCHEMBL10313633

[C-]#[N+]c1ccc(-n2cnc3c(=O)[nH]c(-c4ccc(F)cc4F)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
PDE5A O76074 2/20 0.34
DHODH Q02127 1/20 0.34
AADAT Q8N5Z0 1/20 0.34
HCAR1 Q9BXC0 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
SCHEMBL10275806 0.84 XDH (0.42) XDHMEN1KMT2APTGS1PTGS2
SCHEMBL10313639 0.78 PDE5A (0.48) MEN1KMT2APDE5A
SCHEMBL10313632 0.77 XDH (0.47) XDHMEN1KMT2A
SCHEMBL10313630 0.77 PI4KA (0.40) XDHPTGS1PTGS2
SCHEMBL10313636 0.75 MAPK14 (0.36) PTGS1PTGS2
SCHEMBL10313616 0.63 PI4KA (0.32)
SCHEMBL10275396 0.61 PDE5A (0.48) MEN1KMT2APDE5A
SCHEMBL10276251 0.60 PI4KA (0.40) PTGS1PTGS2
SCHEMBL10276398 0.60 XDH (0.47) XDHMEN1KMT2A
SCHEMBL3310025 0.59 XDH (0.76) XDHMEN1KMT2A

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 XDH 8/4885MEN1 4229/4885KMT2A 4649/4885

“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.