SCHEMBL535915

SCHEMBL535915

[CH2]C#Cc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.65
MAPK1 P28482 3/20 0.50
TSHR P16473 1/20 0.50
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PDE7A Q13946 8/20 0.43
PDE7B Q9NP56 4/20 0.43
KIF18A Q8NI77 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 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
SCHEMBL29669613 0.82 VCAM1 (0.59) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL11788216 0.81 VCAM1 (0.58) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL7664972 0.80 VCAM1 (0.71) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL1343562 0.79 VCAM1 (1.00) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL13982692 0.79 VCAM1 (0.69) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL1524058 0.73 MAPK1 (0.72) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL66843 0.72 MAPK1 (0.59) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL16952294 0.71 MAPK1 (0.58) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL358730 0.71 MAPK1 (0.69) VCAM1MAPK1TSHRALDH1A1L3MBTL1
SCHEMBL6141312 0.71 TP53 (0.44) MAPK1TSHRALDH1A1LMNA

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 VCAM1 4576/4885MAPK1 3902/4885TSHR 496/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 VCAM1 4632/4885MAPK1 3601/4885TSHR 1295/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 VCAM1 4630/4885MAPK1 4038/4885TSHR 433/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 VCAM1 4741/4885MAPK1 4018/4885TSHR 362/4885

“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.