SCHEMBL535368

SCHEMBL535368

O=[N+]([O-])c1cc(Br)c(F)cc1C[CH]CCCCO

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.36
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SNCA P37840 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
CA2 P00918 1/20 0.31
MAPK1 P28482 1/20 0.31
VCP P55072 1/20 0.31

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
SCHEMBL535252 0.79 S100A4 (0.39) SNCARAB9AMAPTPKMCA2
SCHEMBL23535461 0.78 TDO2 (0.41) TDO2ATMTDP1SNCAMEN1
SCHEMBL18531440 0.77 TDO2 (0.42) TDO2ATMTDP1SNCAMEN1
SCHEMBL536017 0.77 CA2 (0.30) CA2
SCHEMBL31434883 0.73 ATM (0.43) TDO2ATMTDP1SNCAMEN1
SCHEMBL20247288 0.73 ATM (0.43) TDO2ATMTDP1SNCAMEN1
SCHEMBL17466058 0.71 MAPT (0.42) TDO2ATMTDP1SNCAMEN1
SCHEMBL29706788 0.71 CYP1A2 (0.53) TDO2ATMTDP1SNCAMEN1
SCHEMBL15577394 0.71 CYP1A2 (0.53) TDO2ATMTDP1SNCAMEN1
SCHEMBL16017314 0.70 ALDH1A1 (0.43) TDO2ATMTDP1SNCAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 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 (4 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 TDO2 1405/4885ATM 3993/4885TDP1 4807/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 TDO2 2189/4885ATM 3461/4885TDP1 4789/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 TDO2 1409/4885ATM 3959/4885TDP1 4805/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 TDO2 1191/4885ATM 3795/4885TDP1 4802/4885

“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.