SCHEMBL654655

SCHEMBL654655

Nc1nc2sc(N)nc2c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
HBB P68871 1/20 0.44
HIF1A Q16665 1/20 0.44
PNP P00491 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RPS6KA3 P51812 1/20 0.39
MAPT P10636 1/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
TYMS P04818 3/20 0.36
DHFR P00374 2/20 0.36

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
SCHEMBL29991277 0.81 ADORA3 (0.49) HIF1AKDM4EALDH1A1RPS6KA3MAPT
SCHEMBL654730 0.78 MITF (0.40) MITFTP53THRBALOX15HBB
SCHEMBL654867 0.77 MITF (0.39) MITFTP53THRBALOX15HBB
Thiazolopyrimidine SCHEMBL1703410 0.68 RPS6KA3 (0.52) MITFTP53THRBALOX15HBB
8-Aminoguanine SCHEMBL21760 0.66 KDM4E (0.60) MITFTP53THRBALOX15HBB
SCHEMBL27171569 0.64 MAPK1 (0.69) KDM4EALDH1A1LMNAMAPTTYMS
SCHEMBL8231702 0.64 THRB (0.53) MITFTP53THRBALOX15HBB
Pterine SCHEMBL28042087 0.63 AKR1B1 (0.53) MITFTP53THRBALOX15HBB
SCHEMBL14072450 0.63 TYMS (0.48) TP53KDM4EALDH1A1LMNAGLA
SCHEMBL14883281 0.62 MAPK1 (0.47) KDM4EALDH1A1MAPTTYMSDHFR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211710-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH NUCLEOSIDE-METABOLISM MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-07-07 US disclosed
WO-2021022105-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER WITH NUCLEOSIDE-METABOLISM MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-02-04 WO disclosed
US-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 US disclosed
US-9730944-B2 Antiviral activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2017-08-15 US disclosed
US-9573966-B2 Anti-cancer activity of novel bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2017-02-21 US disclosed
EP-2616077-B1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES UNIV LEUVEN KATH (BE) 2016-08-31 EP disclosed
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-02-04 US disclosed
US-9221822-B2 Thiazolopyrimidine modulators as immunosuppressive agents KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-12-29 US disclosed
US-9193741-B2 Antiviral activity of bicyclic heterocycles KATHOLIEKE UNIVERSITEIT LEUVEN, K. U. LEUVEN R&D (BE) 2015-11-24 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
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP disclosed
EP-2575969-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-04-10 EP disclosed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US disclosed
EP-2440533-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS Socpra-Sciences Et Génie S.E.C. (CA) 2012-04-18 EP disclosed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO disclosed
US-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2012-02-23 US disclosed
EP-2405973-A2 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-01-18 EP disclosed
WO-2011147753-A1 ANTIVIRAL ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2011-12-01 WO disclosed
WO-2010142027-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S. E. C. (CA) 2010-12-16 WO disclosed
WO-2010103130-A2 NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-09-16 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-20120046278-A1 THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS TPMT, STAT6, IL4 MITF 361/4885TP53 500/4885THRB 1165/4885
US-20160030447-A1 Antiviral Activity of Novel Bicyclic Heterocycles RNASE1, HAVCR2, RNASEH1 MITF 4183/4885TP53 1761/4885THRB 3549/4885
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 MITF 1920/4885TP53 1184/4885THRB 1301/4885

“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.