SCHEMBL191740

SCHEMBL191740

Nc1[nH]c(=O)[nH]c(=O)c1N=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.53
TYMP P19971 4/20 0.48
PNP P00491 1/20 0.48
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CDK2 P24941 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GPR84 Q9NQS5 3/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.37
CASP6 P55212 1/20 0.37
LIG1 P18858 1/20 0.35
LIG3 P49916 1/20 0.35
LIG4 P49917 1/20 0.35

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
SCHEMBL4561128 1.00 G6PD (0.53) G6PDTYMPPNPCDK1CDK4
SCHEMBL12803960 0.71 GPR84 (0.42) G6PDTYMPCDK1CDK4CDK2
SCHEMBL15018449 0.71 GPR84 (0.39) G6PDTYMPPNPCDK1CDK4
SCHEMBL12265283 0.69
SCHEMBL4560415 0.69 TYMP (0.56) G6PDTYMPPNPMEN1KMT2A
SCHEMBL1099736 0.69 TYMP (0.56) G6PDTYMPPNPMEN1KMT2A
Hydrochloric Acid SCHEMBL5026974 0.67 TYMP (0.58) G6PDTYMPPNPMEN1KMT2A
SCHEMBL9243616 0.65 TYMP (0.52) G6PDTYMPPNPMEN1KMT2A
SCHEMBL1228773 0.65 TYMP (1.00) G6PDTYMPPNPMEN1KMT2A
SCHEMBL2236804 0.65 TYMP (0.52) G6PDTYMPPNPMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9040652-A None JP disclosed
JP-3200787-A None JP disclosed
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds CARNEGIE MELLON UNIVERSITY (US) 2023-10-03 US disclosed
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
US-11330999-B2 Hyperpolarized and deuterium exchanged hyperpolarized13C and 15N-labeled xanthine, arginine, glutamine, and urea probes MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2022-05-17 US disclosed
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-10 US disclosed
US-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-20200260983-A1 HYPERPOLARIZED AND DEUTERIUM EXCHANGED HYPERPOLARIZED13C AND 15N-LABELED XANTHINE, ARGININE, GLUTAMINE, AND UREA PROBES MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-08-20 US disclosed
US-4816458-A TOPICAL ADMINISTERING SCHERING CORPORATION (US) 1989-03-28 US disclosed
EP-0304004-A1 Process for the production of sodium purines BOEHRINGER INGELHEIM KG (DE) 1989-02-22 EP disclosed
US-4769377-A Adenosine receptor antagonists THE JOHNS HOPKINS UNIVERSITY (US) 1988-09-06 US disclosed
EP-0221996-A1 SUBSTITUTED 2,3-DIHYDRO-6-HYDROXY-PYRIMIDO [2,1-f] PURINE-4,8(1H,9H)-DIONES. SCHERING CORP (US) 1987-05-20 EP disclosed
EP-0107165-B1 SUBSTITUTED 9H-8-OXO-PYRIMIDO(2,1-F)PURINE-2,4-DIONES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1987-04-15 EP disclosed
WO-1986006724-A1 SUBSTITUTED 2,3-DIHYDRO-6-HYDROXY-PYRIMIDO AD2,1-f BD-PURINE-4,8(1H,9H)-DIONES SCHERING CORPORATION (US) 1986-11-20 WO disclosed
US-4593095-A ADENOSINE RECEPTOR ANTAGONISTS THE JOHNS HOPKINS UNIVERSITY (US) 1986-06-03 US disclosed
US-4569936-A Anti-inflammatory substituted 9H-8-oxo-pyrimido[2,1-f]purine-2,4-diones SCHERING CORPORATION (US) 1986-02-11 US disclosed
EP-0107165-A1 Substituted 9H-8-oxo-pyrimido(2,1-f)purine-2,4-diones, process for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-05-02 EP disclosed
US-4247693-A Process for preparing 2,4,5,6-tetraaminopyrimidine sulfate AMERICAN CYANAMID COMPANY (US) 1981-01-27 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-20200260983-A1 HYPERPOLARIZED AND DEUTERIUM EXCHANGED HYPERPOLARIZED13C AND 15N-LABELED XANTHINE, ARGININE, GLUTAMINE, AND UREA PROBES GLS, ARG2, ARG1 G6PD 307/4885TYMP 933/4885PNP 160/4885
US-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR G6PD 638/4885TYMP 11/4885PNP 15/4885
US-11330999-B2 Hyperpolarized and deuterium exchanged hyperpolarized13C and 15N-labeled xanthine, arginine, glutamine, and urea probes GLS, ARG2, ARG1 G6PD 307/4885TYMP 933/4885PNP 160/4885
US-11772085-B2 Far superior oxidation catalysts based on macrocyclic compounds SOD1, ME3, ME2 G6PD 1623/4885TYMP 4040/4885PNP 1590/4885
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR G6PD 594/4885TYMP 12/4885PNP 20/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A G6PD 612/4885TYMP 241/4885PNP 190/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A G6PD 612/4885TYMP 241/4885PNP 190/4885

“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.