SCHEMBL2686771

SCHEMBL2686771

CSc1nc(N)c(N=O)c(O)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.37
CCNA2 P20248 2/20 0.37
CCNA1 P78396 2/20 0.37
CDK1 P06493 2/20 0.35
CDK4 P11802 1/20 0.35
HSP90AB1 P08238 1/20 0.34
ABCB1 P08183 2/20 0.34
CCNB1 P14635 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
SCHEMBL5456964 0.86 CDK2 (0.42) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL15500414 0.78 CDK2 (0.37) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL6402248 0.75 CDK2 (0.40) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL4160357 0.74 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL8725001 0.74 HSP90AB1 (0.45) HSP90AB1ABCB1
SCHEMBL29473573 0.74 CDK2 (0.52) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL2745214 0.74 CDK2 (0.41) CDK2CCNA2CCNA1CDK1CDK4
SCHEMBL29693584 0.74 CDK2 (0.41) CDK2CCNA2CCNA1CDK1CDK4
Hydrochloric Acid SCHEMBL4410477 0.72 HSP90AB1 (0.43) HSP90AB1ABCB1
SCHEMBL5026853 0.71 CDK2 (0.38) CDK2CCNA2CCNA1CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398948-A2 2,4,6,7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF Janus Biotherapeutics, Inc. (US) 2018-11-07 EP disclosed
US-20170275287-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF JANUS BIOTHERAPEUTICS, INC. (US) 2017-09-28 US disclosed
US-20170275287-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF JANUS BIOTHERAPEUTICS, INC. (US) 2017-09-28 US disclosed
EP-3183251-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF Janus Biotherapeutics, Inc. (US) 2017-06-28 EP disclosed
WO-2016029077-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF JANUS BIOTHERAPEUTICS, INC. (US) 2016-02-25 WO disclosed
WO-2016029077-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF JANUS BIOTHERAPEUTICS, INC. (US) 2016-02-25 WO disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
EP-2923734-A1 Purine analogues and their use as immunosuppressive agents Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2015-09-30 EP disclosed
US-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2015-02-05 US disclosed
US-8901132-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-12-02 US disclosed
WO-2012064674-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS ABBOTT LABORATORIES (US) 2012-05-18 WO disclosed
US-20120115244-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 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 (3 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-20150038494-A1 Thiazolopyrimidine Modulators as Immunosuppressive Agents TPMT, STAT6, IL4 CDK2 440/4885CCNA2 1226/4885CCNA1 1171/4885
US-20120115244-A1 MATERIALS AND METHODS FOR IMMUNOASSAY OF PTERINS SPR, CD68, CMKLR2 CDK2 3030/4885CCNA2 2002/4885CCNA1 1520/4885
US-20170275287-A1 NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF TLR7, C5, CD4 CDK2 355/4885CCNA2 264/4885CCNA1 554/4885

“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.