SCHEMBL6447533

SCHEMBL6447533

CCOC(=O)CNC(=O)c1ccc(NCc2ccc3ccc4nc(C)[nH]c(=O)c4c3c2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 14/20 0.65
MMP13 P45452 1/20 0.39

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
SCHEMBL6450023 0.90 TYMS (0.74) TYMS
SCHEMBL7262050 0.88 TYMS (0.66) TYMSMMP13
SCHEMBL6446395 0.86 TYMS (0.77) TYMS
SCHEMBL6446404 0.86 TYMS (0.77) TYMS
SCHEMBL7258101 0.86 TYMS (0.73) TYMSMMP13
SCHEMBL7258233 0.83 TYMS (0.73) TYMS
SCHEMBL6655392 0.82 TYMS (0.65) TYMSMMP13
SCHEMBL9236881 0.81 TYMS (0.85) TYMS
SCHEMBL6447463 0.79 TYMS (1.00) TYMS
SCHEMBL6842975 0.79 TYMS (0.53) TYMS

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-0535034-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-07 EP 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
US-20040057990-A1 Liposomal benzoquinazoline thymidylate synthase inhibitor formulations OSI PHARMACEUTICALS, INC. 2004-03-25 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-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-1994014448-A1 NOVEL COMBINATION OF BENZOQUINAZOLINE ANTIFOLATES AND PROTECTING AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-07-07 WO 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 (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-20030203924-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 TYMS 20/4885MMP13 3990/4885
US-20020137748-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 TYMS 20/4885MMP13 3990/4885
US-20040057990-A1 Liposomal benzoquinazoline thymidylate synthase inhibitor formulations TYMS, TYMP, CTPS1 TYMS 1/4885MMP13 3996/4885

“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.