SCHEMBL5217067

SCHEMBL5217067

COc1cc2c(cc1OC)C(=O)CC=N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 2/20 0.39
HPGD P15428 2/20 0.38
KLK7 P49862 1/20 0.38
ACHE P22303 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
MAOA P21397 1/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
TLK2 Q86UE8 1/20 0.34
TNFSF11 O14788 1/20 0.33
GRIN2D O15399 1/20 0.33

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
SCHEMBL30281224 1.00 KDM4E (0.40) KDM4EALDH1A1CA1CA2CA7
Water SCHEMBL31616949 0.98 KDM4E (0.39) KDM4EALDH1A1CA1CA2CA7
SCHEMBL6686429 0.89 ACHE (0.47) KDM4EALDH1A1CA1CA2CA7
SCHEMBL17338043 0.87 ACHE (0.44) KDM4EALDH1A1CA1CA7CA9
SCHEMBL31511963 0.87 HPGD (0.38) ALDH1A1HPGDMAPTGAA
SCHEMBL28393372 0.83 CHEK1 (0.38) KDM4EALDH1A1MAPTUSP8USP7
SCHEMBL4475236 0.83 CTSV (0.45) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL1546879 0.83 CTSV (0.45) ALDH1A1HPGDKMT2AMEN1MAPT
SCHEMBL31401846 0.76 PDE3B (0.46) KDM4EALDH1A1CA1CA2CA7
SCHEMBL26841070 0.76 PDE3B (0.46) KDM4EALDH1A1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532116-B Synthesis method of anti-tumor targeted therapeutic drug tivozanib WUHAN MAIDESEN MEDICAL TECHNOLOGY CO LTD 2015-01-21 CN claimed
CN-102532116-A Synthesis method of anti-tumor targeted therapeutic drug tivozanib WUHAN MAIDESEN MEDICAL TECHNOLOGY CO LTD 2012-07-04 CN claimed
CN-102532116-B Synthesis method of anti-tumor targeted therapeutic drug tivozanib WUHAN MAIDESEN MEDICAL TECHNOLOGY CO LTD 2015-01-21 CN disclosed
CN-102532116-A Synthesis method of anti-tumor targeted therapeutic drug tivozanib WUHAN MAIDESEN MEDICAL TECHNOLOGY CO LTD 2012-07-04 CN disclosed
EP-1559715-B1 N-{2-CHLORO-4-[(6,7-DIMETHOXY-4-QUINOLYL)OXY]PHENYL}-N'-(5-METHYL-3-ISOXAZOLYL)UREA SALT IN CRYSTALLINE FORM KIRIN BREWERY (JP) 2007-09-26 EP disclosed
US-7166722-B2 N-{2-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-n′-(5-methyl-3-isoxazolyl)urea salt in crystalline form KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-23 US disclosed
US-20060052415-A1 N-{2-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-n'-(5-methyl-3-isoxazolyl)urea salt in crystalline form KIRIN BEER KABUSHIKI KAISHA (JP) 2006-03-09 US disclosed
EP-1559715-A1 N-[2-CHLORO-4-(6,7-DIMETHOXY-4-QUINOLYL)OXY]PHENYL]-N'-(5-METHYL-3-ISOXAZOLYL)UREA SALT IN CRYSTALLINE FORM KIRIN BEER KABUSHIKI KAISHA (JP) 2005-08-03 EP disclosed
US-6897210-B2 Quinazoline derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 2005-05-24 US disclosed
US-6809106-B1 ANTIPROLIFERATION AGENTS; SUCH AS 4-(2-METHOXYPHENOXY)-ANILINO-3-CHLORO-6,7-DIMETHOXYQUINOLINE ASTRAZENECA AB (SE) 2004-10-26 US disclosed
EP-1178966-B1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES ASTRAZENECA AB (SE) 2003-10-22 EP disclosed
EP-0990647-B1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BREWERY (JP) 2003-07-02 EP disclosed
EP-1178966-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES AstraZeneca AB (SE) 2002-02-13 EP disclosed
US-6187926-B1 REACTING ORTHO-AMINOACETOPHENONE DERIVATIVE WITH FORMIC ACID ESTER IN APROTIC SOLVENT IN PRESENCE OF BASE, ADDING PROTIC SOLVENT TO REACTION MIXTURE KIRIN BEER KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
WO-2000068200-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF MEK ENZYMES ASTRAZENECA AB (SE) 2000-11-16 WO disclosed
EP-0990647-A1 PROCESS FOR PRODUCING QUINOLONE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2000-04-05 EP 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 (1 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-20060052415-A1 N-{2-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}-n'-(5-methyl-3-isoxazolyl)urea salt in crystalline form UACA, REN, TPMT KDM4E 420/4885ALDH1A1 3400/4885CA1 3824/4885

“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.