SCHEMBL2535792

SCHEMBL2535792

COc1cc2c(Oc3ccc([N+](=O)[O-])c(CC(C)=O)c3F)ncnc2cc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
KDR P35968 7/20 0.45
FLT4 P35916 5/20 0.45
FLT1 P17948 1/20 0.45
EGFR P00533 3/20 0.44
CSF1R P07333 4/20 0.44
PDGFRB P09619 4/20 0.44
FLT3 P36888 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
TRPA1 O75762 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
BRAF P15056 1/20 0.42
RET P07949 1/20 0.41
KIF5B P33176 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
MET P08581 2/20 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
SCHEMBL1549776 0.89 MET (0.48) KDRMEN1ALDH1A1KMT2AKIT
SCHEMBL297890 0.81 CTSV (0.47) MEN1ALDH1A1KMT2A
SCHEMBL28343434 0.79 TRPA1 (0.56) IRAK1IRAK4KDRFLT4FLT1
SCHEMBL1549363 0.76 MET (0.43) KDRPDGFRAMET
SCHEMBL10296341 0.76 MET (0.42) KDRFLT4EGFRCSF1RPDGFRB
SCHEMBL28512289 0.75 MET (0.47) KDRPDGFRBPDGFRAMET
SCHEMBL6788900 0.75 IRAK1 (0.59) IRAK1IRAK4KDRFLT4FLT1
SCHEMBL20911302 0.74 CSF1R (0.56) IRAK1IRAK4KDRFLT4EGFR
SCHEMBL20897394 0.74 FLT4 (0.56) IRAK1IRAK4KDRFLT4FLT1
SCHEMBL28907136 0.74 MET (0.48) KDRPDGFRAMET

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-8754240-B2 Process for the manufacture of 4-fluoro-2-methyl-1H-indol-5-ol ASTRAZENECA AB (SE) 2014-06-17 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-20110257395-A1 Chemical Process ASTRAZENECA AB (SE) 2011-10-20 US disclosed
US-7851623-B2 Chemical process ASTRAZENECA AB (SE) 2010-12-14 US disclosed
EP-2129657-A2 PROCESS FOR PREPARING INDOL-5-OXY-QUINAZOLINE DERIVATIVES AND INTERMEDIATES AstraZeneca AB (SE) 2009-12-09 EP disclosed
US-20080221322-A1 CHEMICAL PROCESS ASTRAZENECA AB (SE) 2008-09-11 US disclosed
WO-2008053221-A2 PROCESS FOR PREPARING INDOL- 5 -OXY- QUINAZOLINE DERIVATIVES AND INTERMEDIATES ASTRAZENECA AB (SE) 2008-05-08 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-20110257395-A1 Chemical Process CYP3A5, CYP3A4, CYP3A7 IRAK1 3540/4885IRAK4 2760/4885KDR 3684/4885
US-20080221322-A1 CHEMICAL PROCESS CYP3A5, CYP3A4, CYP3A7 IRAK1 3540/4885IRAK4 2760/4885KDR 3684/4885

“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.