SCHEMBL6446398

SCHEMBL6446398

Cc1nc2ccc3ccc(CNc4ccc(C(=O)CC(CCC(=O)O)C(=O)O)cc4)cc3c2c(=O)[nH]1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 9/20 0.64
DHFR P00374 1/20 0.45

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
SCHEMBL6446417 1.00 TYMS (0.64) TYMSDHFR
SCHEMBL9422204 0.91 TYMS (0.57) TYMSDHFR
SCHEMBL6447643 0.91 TYMS (0.56) TYMS
SCHEMBL9879875 0.90 TYMS (0.54) TYMS
SCHEMBL6447490 0.89 TYMS (0.61) TYMS
SCHEMBL6647746 0.86 TYMS (0.79) TYMSDHFR
SCHEMBL6648735 0.84 TYMS (0.58) TYMS
SCHEMBL9422199 0.83 TYMS (0.55) TYMSDHFR
SCHEMBL6446126 0.82 TYMS (0.56) TYMS
SCHEMBL6447640 0.80 TYMS (0.52) TYMSDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP claimed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 WO claimed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 WO claimed
US-6855712-B2 Combination of benzoquinazoline antifolates and protecting agents SMITHKLINE BEECHAM CORPORATION (US) 2005-02-15 US disclosed
US-6762188-B1 INHIBITING THYMIDYLATE SYNTHASE; COLON, BREAST OR LUNG CARCINOMA SMITHKLINE BEECHAM CORPORATION 2004-07-13 US disclosed
EP-1199307-B1 Pharmaceutically active benzoquinazoline compounds WELLCOME FOUND (GB) 2004-02-25 EP disclosed
US-6689381-B2 LIPOSOME COMPRISING PHOSPHATIDYLCHOLINE, CHOLESTEROL, AS WELL AS BENZOQUINAZOLINE THYMIDYLATE SYNTHASE INHIBITOR; IMPROVED PHARMACOKINETICS AND EFFICACY AS ANTI-TUMOR AGENTS COMPARED TO FREE DRUG OSI PHARMACEUTICALS, INC. 2004-02-10 US disclosed
US-20030203924-A1 Novel combination of benzoquinazoline antifolates and protecting agents SMITH GARY KEITH (US) 2003-10-30 US disclosed
US-6579877-B2 Reducing intestinal toxicity of a noncompetitive thymidylate synthase inhibitor by co-administering a folate derivative without blocking therapy; anticancer, antitumore agents SMITHKLINE BEECHAM CORPORATION 2003-06-17 US disclosed
US-20020137748-A1 Novel combination of benzoquinazoline antifolates and protecting agents SMITH GARY KEITH (US) 2002-09-26 US disclosed
EP-1199307-A1 Pharmaceutically active benzoquinazoline compounds THE WELLCOME FOUNDATION LIMITED (GB) 2002-04-24 EP disclosed
US-6358952-B1 SIDE EFFECT REDUCTION WHEN ADMINISTERING NON-COMPETITIVE THYMIDYLATE SYNTHASE INHIBITOR AS ANTITUMOR AGENT SMITHKLINE BEECHAM CORPORATION 2002-03-19 US disclosed
US-6306865-B1 SYNTHASE INHIBITORS AND ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-10-23 US disclosed
US-6090941-A Pharmaceutically active benzoquinazoline compounds GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed
EP-0675719-B1 NOVEL COMBINATION OF BENZOQUINAZOLINE ANTIFOLATES AND PROTECTING AGENTS WELLCOME FOUND (GB) 1998-06-10 EP disclosed
US-5663337-A ENZYME, ANTITUMOR GLAXO WELLCOME INC. (US) 1997-09-02 US disclosed
US-5661155-A THYMIDYLATE SYNTHASE INHIBITOR; ADMINISTERING TO THE MAMMAL SUFFERING FROM LEUKEMIA OR TUMOR 2-(5-(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLINE-9-YL) METHYL)AMINO)-1-OXO-2-ISOINDOLINYL)GLUTARIC ACID OR SALTS GLAXO WELLCOME INC. (US) 1997-08-26 US disclosed
EP-0675719-A1 NOVEL COMBINATION OF BENZOQUINAZOLINE ANTIFOLATES AND PROTECTING AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1995-10-11 EP disclosed
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
WO-1991019700-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-12-26 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 (2 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-20030203924-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 TYMS 20/4885DHFR 2/4885
US-20020137748-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 TYMS 20/4885DHFR 2/4885

“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.