SCHEMBL1917547

SCHEMBL1917547

NCCCNc1nc(Nc2ccc(Cl)cc2)ncc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 18/20 1.00
STK17B O94768 10/20 0.69
PRKCQ Q04759 2/20 0.59

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
SCHEMBL1917301 0.97 STK17A (0.94) STK17ASTK17BPRKCQ
SCHEMBL1916898 0.96 STK17A (0.92) STK17ASTK17BPRKCQ
SCHEMBL1918919 0.96 STK17A (0.92) STK17ASTK17BPRKCQ
SCHEMBL3286722 0.93 STK17A (0.87) STK17ASTK17BPRKCQ
SCHEMBL3285508 0.91 STK17A (0.83) STK17ASTK17BPRKCQ
SCHEMBL1919110 0.89 STK17A (0.80) STK17ASTK17BPRKCQ
SCHEMBL1917109 0.89 STK17A (0.80) STK17ASTK17BPRKCQ
SCHEMBL5408700 0.89 STK17A (0.80) STK17ASTK17BPRKCQ
SCHEMBL1917676 0.88 STK17A (0.78) STK17ASTK17BPRKCQ
SCHEMBL3283624 0.87 STK17A (0.77) STK17ASTK17BPRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539951-B1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES KOREA RES INST CHEMICAL TECH (KR) 2020-10-07 EP disclosed
CN-110114344-B Novel pyrimidine compound, method for preparing same, and pharmaceutical composition containing same as active ingredient for preventing or treating cancer and inflammatory disease 韩国化学研究院 2020-06-16 CN disclosed
US-10647686-B2 Substituted pyrimidines for preventing or treating cancer and inflammatory diseases KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-05-12 US disclosed
US-10647686-B2 Substituted pyrimidines for preventing or treating cancer and inflammatory diseases KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-05-12 US disclosed
US-20190284143-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-09-19 US disclosed
US-20190284143-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2019-09-19 US disclosed
EP-3539951-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES Korea Research Institute of Chemical Technology (KR) 2019-09-18 EP disclosed
WO-2018088749-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES 한국화학연구원 2018-05-17 WO disclosed
US-8420630-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-04-16 US disclosed
EP-2090571-B1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2012-05-16 EP disclosed
EP-2090571-A1 Pyrimidine derivates, medicaments comprising them, their use and process of their preparation Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-08-19 EP disclosed
EP-1438053-B1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA (DE) 2008-09-10 EP disclosed
US-7173028-B2 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-02-06 US disclosed
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-20060100211-A1 Pyrimidine derivatives BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-05-11 US disclosed
US-20050090486-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-04-28 US disclosed
EP-1438053-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-21 EP disclosed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US disclosed
US-20030134838-A1 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-17 US disclosed
WO-2003032997-A1 PYRIMIDINE DERIVATIVES, PHARMACEUTICAL AGENT CONTAINING SAID COMPOUNDS, USE AND METHOD FOR MAKING SAME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-04-24 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 (6 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-20060100211-A1 Pyrimidine derivatives TYMP, TYMS, DPYD STK17A 1083/4885STK17B 983/4885PRKCQ 3224/4885
US-20030134838-A1 Trisubstituted pyrimidines APP, PSEN1, BACE1 STK17A 3301/4885STK17B 3455/4885PRKCQ 3253/4885
US-20190284143-A1 NOVEL PYRIMIDINE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER AND INFLAMMATORY DISEASES DTYMK, TGFB1, DCK STK17A 1127/4885STK17B 1114/4885PRKCQ 1451/4885
US-20050090486-A1 Trisubstituted pyrimidines APP, BACE1, PSEN1 STK17A 3456/4885STK17B 3502/4885PRKCQ 3437/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR STK17A 2304/4885STK17B 2593/4885PRKCQ 3897/4885
US-10647686-B2 Substituted pyrimidines for preventing or treating cancer and inflammatory diseases TGFBR1, TGFBR2, TGFB1 STK17A 885/4885STK17B 977/4885PRKCQ 1214/4885

“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.