SCHEMBL6447845

SCHEMBL6447845

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

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 10/20 0.81
DHFR P00374 5/20 0.50
SLC19A1 P41440 3/20 0.47
FPGS Q05932 1/20 0.38

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
SCHEMBL6447840 1.00 TYMS (0.81) TYMSDHFRSLC19A1FPGS
Osi-7904 SCHEMBL29692323 0.90 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL7207397 0.90 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL29692303 0.90 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL2195534 0.90 TYMS (1.00) TYMSDHFRSLC19A1
Osi-7904 SCHEMBL29389995 0.90 TYMS (1.00) TYMSDHFRSLC19A1
SCHEMBL6450938 0.88 TYMS (0.65) TYMSDHFRSLC19A1
SCHEMBL6446111 0.87 TYMS (0.84) TYMSDHFRSLC19A1FPGS
SCHEMBL6446103 0.87 TYMS (0.84) TYMSDHFRSLC19A1FPGS
SCHEMBL6450950 0.81 TYMS (0.53) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.