SCHEMBL1401807

SCHEMBL1401807

N#CCc1cc(OCc2ccccc2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
SGMS2 Q8NHU3 1/20 0.45
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
PTGES O14684 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.42
CYP19A1 P11511 3/20 0.41
PIN1 Q13526 2/20 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
SCHEMBL8967901 0.90 ALDH1A1 (0.52) ALDH1A1HPGDSGMS2CTSVCTSL
SCHEMBL29805068 0.90 ALDH1A1 (0.52) ALDH1A1HPGDSGMS2CTSVCTSL
SCHEMBL4373962 0.86 ALDH1A1 (0.46) ALDH1A1HPGDSGMS2CTSVCTSL
SCHEMBL188386 0.86 ALDH1A1 (0.48) ALDH1A1HPGDSGMS2CTSVCTSL
SCHEMBL13504298 0.82 CTSV (0.54) CTSVCTSLPTGESMEN1KMT2A
SCHEMBL1137268 0.82 PTGES (0.57) CTSVCTSLPTGESMEN1KMT2A
SCHEMBL3007019 0.80 MEN1 (0.52) ALDH1A1HPGDCTSVCTSLPTGES
SCHEMBL1401802 0.80 ALDH1A1 (0.49) ALDH1A1HPGDPTGESMEN1KMT2A
SCHEMBL810439 0.79 PTGES (0.57) CTSVCTSLPTGESMEN1KMT2A
SCHEMBL30699715 0.79 PTGES (0.57) CTSVCTSLPTGESMEN1KMT2A

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP claimed
CN-100360505-C Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2008-01-09 CN claimed
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US claimed
CN-1597667-A Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2005-03-23 CN claimed
WO-2017008708-A1 METHOD FOR PREPARING INDAZOLE COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2017-01-19 WO disclosed
CN-106317023-A Preparation method and application of indazole compound 中国科学院上海药物研究所 2017-01-11 CN disclosed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-8293902-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2012-10-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2292615-A1 Quinazoline compounds AstraZeneca AB (SE) 2011-03-09 EP disclosed
EP-1553097-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
CN-1468230-A Compound (I) 2004-01-14 CN disclosed
US-20030207878-A1 Chemical compounds ASTRAZENECA AB (SE) 2003-11-06 US disclosed
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity ASTRAZENECA AB (SE) 2003-10-23 US disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP disclosed
CN-1346271-A Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA UK LTD (SE) 2002-04-24 CN disclosed
WO-2002012227-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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 (5 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR ALDH1A1 822/4885HPGD 348/4885SGMS2 4855/4885
US-20030199491-A1 Quinoline derivatives having vegf inhibiting activity VEGFA, FLT1, FLT4 ALDH1A1 2513/4885HPGD 1207/4885SGMS2 3499/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 ALDH1A1 1730/4885HPGD 2567/4885SGMS2 40/4885
US-20030207878-A1 Chemical compounds CYP3A7, HTR3C, CNR1 ALDH1A1 1354/4885HPGD 1253/4885SGMS2 2743/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 ALDH1A1 3323/4885HPGD 1830/4885SGMS2 4774/4885

“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.