SCHEMBL6447529

SCHEMBL6447529

Nc1ccc2c(c1)CN([C@@H](CCC(=O)O)C(=O)O)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 4/20 0.52
SLC19A1 P41440 3/20 0.52
KDM4E B2RXH2 4/20 0.50
ALOX15 P16050 3/20 0.50
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TYMS P04818 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 1/20 0.44

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
SCHEMBL6447536 1.00 DHFR (0.52) DHFRSLC19A1KDM4EALOX15MAPT
SCHEMBL14506393 0.90 KDM4E (0.56) DHFRSLC19A1KDM4EALOX15MAPT
SCHEMBL824555 0.83 ALOX15 (0.70) KDM4EALOX15MAPTSMN1; SMN2ALDH1A1
SCHEMBL29774638 0.83 ALOX15 (0.70) KDM4EALOX15MAPTSMN1; SMN2ALDH1A1
SCHEMBL6651469 0.81 DHFR (0.54) DHFRSLC19A1KDM4EALOX15MAPT
SCHEMBL6651478 0.81 DHFR (0.54) DHFRSLC19A1KDM4EALOX15MAPT
SCHEMBL27173134 0.80 MEN1 (0.48) DHFRSLC19A1KDM4EALOX15MAPT
SCHEMBL23357901 0.79 SDCBP (0.48) DHFRSLC19A1KDM4EALOX15MAPT
SCHEMBL22713348 0.79 DHFR (0.44) DHFRSLC19A1KDM4EALOX15MAPT
SCHEMBL22713346 0.79 DHFR (0.44) DHFRSLC19A1KDM4EALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535034-B1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS WELLCOME FOUND (GB) 2002-08-14 EP 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-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-0535034-B1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS WELLCOME FOUND (GB) 2002-08-14 EP 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-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
US-5405851-A Administering benzoquinazoline thymidylate synthase inhibitors BURROUGHS WELLCOME CO. (US) 1995-04-11 US disclosed
EP-0535034-A1 PHARMACEUTICALLY ACTIVE BENZOQUINAZOLINE COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-04-07 EP 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 DHFR 2/4885SLC19A1 1/4885KDM4E 3485/4885
US-20020137748-A1 Novel combination of benzoquinazoline antifolates and protecting agents SLC19A1, DHFR, FOLR2 DHFR 2/4885SLC19A1 1/4885KDM4E 3485/4885

“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.