SCHEMBL297890

SCHEMBL297890

CC(=O)Cc1c([N+](=O)[O-])ccc(OCc2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSV O60911 4/20 0.47
CTSL P07711 4/20 0.47
CYP19A1 P11511 1/20 0.46
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
MYC P01106 1/20 0.41
MAX P61244 1/20 0.41
ABCB1 P08183 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2535792 0.81 IRAK1 (0.45) MEN1KMT2AALDH1A1
SCHEMBL297502 0.81 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1POLBCYP2C19
SCHEMBL573839 0.81 CTSV (0.49) CTSVCTSLCYP19A1MAPTMEN1
SCHEMBL1549776 0.80 MET (0.48) MEN1KMT2AALDH1A1
SCHEMBL2477081 0.80 MAPT (0.49) CTSVCTSLCYP19A1MAPTMEN1
SCHEMBL1401678 0.80 SGMS2 (0.46) CTSVCTSLCYP19A1MAPTMEN1
SCHEMBL573614 0.78 MAPT (0.53) CTSVCTSLCYP19A1MAPTMEN1
SCHEMBL2477351 0.78 CTSV (0.50) CTSVCTSLCYP19A1MAPTMEN1
SCHEMBL3007019 0.78 MEN1 (0.52) CTSVCTSLCYP19A1MAPTMEN1
SCHEMBL21811696 0.77 CTSV (0.47) CTSVCTSLCYP19A1MAPTMEN1

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 61 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
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB 2006-01-05 US claimed
US-8754240-B2 Process for the manufacture of 4-fluoro-2-methyl-1H-indol-5-ol ASTRAZENECA AB (SE) 2014-06-17 US disclosed
US-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
EP-2540706-A2 PROCESS FOR PREPARING INDOL-5-OXY-QUINAZOLINE DERIVATIVES AND INTERMEDIATES AstraZeneca AB (Publ) (SE) 2013-01-02 EP disclosed
EP-2540705-A2 Process for preparing indol-5-oxy-quinazoline derivatives and intermediates AstraZeneca AB (Publ) (SE) 2013-01-02 EP 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-1474420-B1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2012-03-14 EP disclosed
EP-1534290-B1 NOVEL INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2011-12-21 EP disclosed
US-20110257395-A1 Chemical Process ASTRAZENECA AB (SE) 2011-10-20 US disclosed
WO-2003064413-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2003-08-07 WO disclosed
EP-1313726-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-28 EP disclosed
EP-1311500-A2 INDOLE, AZAINDOLE AND INDAZOLE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY AstraZeneca AB (SE) 2003-05-21 EP disclosed
EP-1309587-A1 CINNOLINE COMPOUNDS AstraZeneca AB (SE) 2003-05-14 EP disclosed
WO-2002012228-A1 CINNOLINE COMPOUNDS ASTRAZENECA AB (SE) 2002-02-14 WO disclosed
WO-2002012226-A1 QUINOLINE DERIVATIVES HAVING VEGF INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2002-02-14 WO 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 (3 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 CTSV 2552/4885CTSL 1713/4885CYP19A1 456/4885
US-20110257395-A1 Chemical Process CYP3A5, CYP3A4, CYP3A7 CTSV 2527/4885CTSL 2467/4885CYP19A1 1037/4885
US-20060004017-A1 Quinazoline derivatives as angiogenesis inhibitors FLT4, NOS3, FLT1 CTSV 1791/4885CTSL 695/4885CYP19A1 1229/4885

“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.