SCHEMBL6311889

SCHEMBL6311889

CCN(C(=O)c1ccc(N)cc1)[C@@](CC)(CCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 4/20 0.35
TSHR P16473 3/20 0.35
MAOA P21397 2/20 0.35
CYP2C19 P33261 2/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
ACHE P22303 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR3A P46098 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP3A4 P08684 2/20 0.35
BLM P54132 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PMP22 Q01453 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
SCHEMBL6308181 0.87 TPMT (0.34) ALDH1A1CYP1A2MEN1KMT2ATHRB
SCHEMBL10965940 0.86 ALDH1A1 (0.38) ALDH1A1CYP1A2MEN1KMT2ATHRB
SCHEMBL9539333 0.85 CES2 (0.37) ALDH1A1CYP1A2MEN1KMT2ATHRB
SCHEMBL6648900 0.85 HPGD (0.34) ALDH1A1CYP1A2MEN1KMT2ATHRB
SCHEMBL10758621 0.83 L3MBTL1 (0.38) ALDH1A1CYP1A2MEN1KMT2ATHRB
SCHEMBL11042857 0.81 CHRM2 (0.45) ALDH1A1CYP1A2MEN1KMT2ATHRB
SCHEMBL9556353 0.79 LMNA (0.43) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL9555905 0.79 THRB (0.32) ALDH1A1CYP1A2MEN1KMT2ATHRB
SCHEMBL10828836 0.79 OPRD1 (0.33) HRH3HPGD
SCHEMBL6655035 0.79 MEN1 (0.37) ALDH1A1CYP1A2MEN1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144509-A1 Pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2003-07-31 US claimed
US-6221872-B1 DEBROMINATING A PYRROLE; FUSING THE PRODUCT WITH AN AMIDINE; CONDENSING THE PRODUCT WITH A NUCLEOPHILE; REDUCING AND PURIFYING DUQUESNE UNIVERSITY OF THE HOLY GHOST 2001-04-24 US claimed
US-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 US disclosed
US-6762188-B1 INHIBITING THYMIDYLATE SYNTHASE; COLON, BREAST OR LUNG CARCINOMA SMITHKLINE BEECHAM CORPORATION 2004-07-13 US disclosed
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2004-02-26 US disclosed
EP-1199307-B1 Pharmaceutically active benzoquinazoline compounds WELLCOME FOUND (GB) 2004-02-25 EP disclosed
US-6696455-B1 NITROGEN COMPOUNDS SUCH AS 6-CHLORO-2-METHYL-4-OXO-PYRIDO (3,2-D)PYRIMIDINE USED AS ANTICARCINOGENIC AGENTS AND/OR FOR PROPHYLAXIS OF INFECTIONS CAUSED BY PNEUMOCYSTIS OR TOXOPLASMA DUQUESNE UNIVERSITY OF THE HOLY GHOST 2004-02-24 US disclosed
US-20030144509-A1 Pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2003-07-31 US disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 US disclosed
US-6420370-B1 ANTITUMOR, ANTIBIOTIC, ANTIMALARIAL, ANTIFUNGAL OR ANTIPROTOZOAL AGENTS, OR AS SYNERGISTIC AGENTS ENZYME INHIBITORS DUQUESNE UNIVERSITY OF THE HOLY GHOST 2002-07-16 US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 US disclosed
US-4992550-A Thymidylate synthetase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-02-12 US disclosed
US-4833145-A 4(3H)-oxo-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1989-05-23 US disclosed
EP-0255228-A1 4(3H)-Oxo-5,6,7,8,-Tetrahydropyrido-(2,3-d)Pyrimidine derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1988-02-03 EP disclosed
EP-0075880-B1 PYRIDO (2,3-D) PYRIMIDINES Southern Research Institute (US) 1987-07-22 EP disclosed
US-4628089-A CHEMICAL INTERMEDIATES, ENZYME INHIBITORS, LEUKEMIA SOUTHERN RESEARCH INSTITUTE (US) 1986-12-09 US disclosed
US-4536575-A INTERMEDIATES FOR 5-DEAZA ANALOGS OF FOLIC ACID, ANTICARCINOGENIC AGENTS; LEUKEMIA SOUTHERN RESEARCH INSTITUTE (US) 1985-08-20 US disclosed
US-4526964-A Intermediates useful in producing 5-deaza analogs of folic acid and aminopterin SOUTHERN RESEARCH INSTITUTE (US) 1985-07-02 US disclosed
US-4431805-A ANTICARCINOGENIC AGENTS; LEUKEMIA; REDUCTASE INHIBITORS; FOLIC ACID ANTAGONISTS SOUTHERN RESEARCH INSTITUTE (US) 1984-02-14 US disclosed
EP-0075880-A2 Pyrido (2,3-d) pyrimidines Southern Research Institute (US) 1983-04-06 EP 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-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD ALDH1A1 1172/4885CYP1A2 986/4885MEN1 2680/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD ALDH1A1 1172/4885CYP1A2 986/4885MEN1 2680/4885
US-20030144509-A1 Pyrimidine derivatives and methods of making and using these derivatives TYMS, TYMP, DPYD ALDH1A1 1355/4885CYP1A2 1724/4885MEN1 1932/4885

“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.