SCHEMBL97605

SCHEMBL97605

CC1C=Nc2c1nc(N)[nH]c2=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.47
QTRT1 Q9BXR0 1/20 0.35
XDH P47989 2/20 0.35
CYP1A2 P05177 1/20 0.35
TYMS P04818 4/20 0.35
DYRK1A Q13627 1/20 0.34

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
SCHEMBL27417293 0.83 PNP (0.45) PNPQTRT1XDHCYP1A2TYMS
SCHEMBL23394738 0.79 PNP (0.44) PNPQTRT1XDHCYP1A2
SCHEMBL21249696 0.79 PNP (0.47) PNPQTRT1XDHCYP1A2TYMS
SCHEMBL21249712 0.79 PNP (0.44) PNPQTRT1XDHCYP1A2TYMS
SCHEMBL30603282 0.72 PNP (0.36) PNPQTRT1XDHCYP1A2TYMS
SCHEMBL9544019 0.71 PNP (0.36) PNPQTRT1XDHCYP1A2TYMS
Hydrochloric Acid SCHEMBL9544122 0.65 PNP (0.34) PNP
SCHEMBL22601502 0.64 TYMS (0.37) PNPTYMS
SCHEMBL20968806 0.64 PNP (0.38) PNPXDH
SCHEMBL29799948 0.62 CDK1 (0.37) PNPQTRT1XDHTYMSDYRK1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3350191-B9 NUCLEOTIDE ANALOGS UNIV CALIFORNIA (US) 2021-12-22 EP disclosed
EP-3875462-A1 NUCLEOTIDE ANALOGS The Regents of The University of California (US) 2021-09-08 EP disclosed
EP-3350191-B1 NUCLEOTIDE ANALOGS UNIV CALIFORNIA (US) 2021-05-12 EP disclosed
EP-3626866-B1 NEXT-GENERATION SEQUENCING LIBRARIES ABBOTT MOLECULAR INC (US) 2021-03-24 EP disclosed
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES CHIMERIX, INC. 2017-11-23 US disclosed
WO-2017048956-A1 NUCLEOTIDE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-23 WO disclosed
US-20150141375-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. 2015-05-21 US disclosed
US-20130072458-A1 Methods of Treating Viral Associated Diseases CHIMERIX, INC. (US) 2013-03-21 US disclosed
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors CHIMERIX, INC. (US) 2012-06-28 US disclosed
US-20120058975-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-08 US disclosed
US-20110263536-A1 Methods of Treating Orthopox Virus Infections and Associated Diseases CHIMERIX, INC. (US) 2011-10-27 US disclosed
US-20100173870-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2010-07-08 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 (7 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-20130072458-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP PNP 727/4885QTRT1 3931/4885XDH 591/4885
US-20110263536-A1 Methods of Treating Orthopox Virus Infections and Associated Diseases OAT, PNPO, OTC PNP 253/4885QTRT1 4621/4885XDH 58/4885
US-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA PNP 74/4885QTRT1 3004/4885XDH 2687/4885
US-20170333459-A1 METHODS OF TREATING ORTHOPOX VIRUS INFECTIONS AND ASSOCIATED DISEASES OAT, PNPO, OTC PNP 253/4885QTRT1 4621/4885XDH 58/4885
US-20150141375-A1 Methods of Treating Viral Associated Diseases HAVCR2, EIF2AK2, TSLP PNP 727/4885QTRT1 3931/4885XDH 591/4885
US-20120164104-A1 Composition and Methods of Treating Viral Infections and Viral Induced Tumors HAVCR2, IRF3, CCL5 PNP 1806/4885QTRT1 4577/4885XDH 2359/4885
US-20100173870-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA PNP 74/4885QTRT1 3004/4885XDH 2687/4885

“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.