SCHEMBL15375889

SCHEMBL15375889

[N-]=[N+]=N[C@@]1(COC(=O)c2cccc(Cl)c2)O[C@H](n2ccc(=O)[nH]c2=O)C(F)C1OC(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 5/20 0.35
P2RY6 Q15077 3/20 0.35
P2RY14 Q15391 1/20 0.35
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAPDH P04406 1/20 0.33
BCHE P06276 1/20 0.31
P2RY4 P51582 1/20 0.30
P2RY12 Q9H244 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL16214947 0.93 POLB (0.37) P2RY2P2RY6P2RY14POLBMEN1
SCHEMBL16214981 0.93 POLB (0.37) P2RY2P2RY6P2RY14POLBMEN1
SCHEMBL14102275 0.92 POLB (0.36) P2RY2P2RY6P2RY14POLBMEN1
SCHEMBL21418943 0.92 POLB (0.36) P2RY2P2RY6P2RY14POLBMEN1
SCHEMBL17972480 0.92 POLB (0.36) P2RY2P2RY6P2RY14POLBMEN1
SCHEMBL16576220 0.92 POLB (0.36) P2RY2P2RY6P2RY14POLBMEN1
SCHEMBL15109290 0.89 GAPDH (0.33) GAPDH
SCHEMBL19112430 0.86 P2RY2 (0.40) P2RY2P2RY6P2RY14P2RY4
SCHEMBL16255784 0.86 P2RY2 (0.40) P2RY2P2RY6P2RY14P2RY4
SCHEMBL16306309 0.86 P2RY2 (0.40) P2RY2P2RY6P2RY14P2RY4

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
EP-2615101-B1 NUCLEOSIDE DERIVATIVES, SYNTHESIS METHODS AND USES THEREOF FOR PREPARING ANTI-TUMOR AND ANTI-VIRUS MEDICAMENTS HIGH & NEW TECH RESEARCH CENTER HENAN ACADEMY OF SCIENCES (CN) 2018-10-17 EP disclosed
US-9422321-B2 Pyrimidine nucleoside derivatives, synthesis methods and uses thereof for preparing anti-tumor and anti-virus medicaments HIGH & NEW TECHNOLOGY RESEARCH CENTER, HENAN ACADEMY OF SCIENCES (CN) 2016-08-23 US disclosed
US-20130303747-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVES, SYNTHESIS METHODS AND USES THEREOF FOR PREPARING ANTI-TUMOR AND ANTI-VIRUS MEDICAMENTS HIGH & NEW TECHNOLOGY RESEARCH CENTER, HENAN ACADEMY OF SCIENCES (CN) 2013-11-14 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-20130303747-A1 PYRIMIDINE NUCLEOSIDE DERIVATIVES, SYNTHESIS METHODS AND USES THEREOF FOR PREPARING ANTI-TUMOR AND ANTI-VIRUS MEDICAMENTS TYMP, DUT, NUDT1 P2RY2 261/4885P2RY6 142/4885P2RY14 209/4885

“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.