SCHEMBL6446103

SCHEMBL6446103

Nc1nc2ccc3ccc(CNc4ccc5c(c4)CN([C@@H](CCC(=O)O)C(=O)O)C5=O)cc3c2c(=O)[nH]1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 8/20 0.84
DHFR P00374 6/20 0.63
SLC19A1 P41440 2/20 0.53
FPGS Q05932 1/20 0.48

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
SCHEMBL6446111 1.00 TYMS (0.84) TYMSDHFRSLC19A1FPGS
Osi-7904 SCHEMBL2195534 0.91 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL29389995 0.91 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL29692303 0.91 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL7207397 0.91 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL29692323 0.91 TYMS (1.00) TYMSDHFRSLC19A1
SCHEMBL6447840 0.87 TYMS (0.81) TYMSDHFRSLC19A1FPGS
SCHEMBL6447845 0.87 TYMS (0.81) TYMSDHFRSLC19A1FPGS
Osi-7904 SCHEMBL1649579 0.82 TYMS (0.79) TYMSDHFRSLC19A1FPGS
SCHEMBL2638076 0.82 TYMS (0.81) TYMSDHFRSLC19A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US claimed
US-6855712-B2 Combination of benzoquinazoline antifolates and protecting agents SMITHKLINE BEECHAM CORPORATION (US) 2005-02-15 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
US-6358952-B1 SIDE EFFECT REDUCTION WHEN ADMINISTERING NON-COMPETITIVE THYMIDYLATE SYNTHASE INHIBITOR AS ANTITUMOR AGENT SMITHKLINE BEECHAM CORPORATION 2002-03-19 US disclosed
EP-0675719-B1 NOVEL COMBINATION OF BENZOQUINAZOLINE ANTIFOLATES AND PROTECTING AGENTS WELLCOME FOUND (GB) 1998-06-10 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

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 2/4885SLC19A1 1/4885
US-20020137748-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 TYMS 20/4885DHFR 2/4885SLC19A1 1/4885

“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.