Sugi Predict

Sugi Predict / Compounds / SCHEMBL535249

SCHEMBL535249

SCHEMBL535249

O=[N+]([O-])c1cc(Cl)ccc1CCCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ VCAM1 P19320 1/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PDE7A Q13946 4/20 0.45
▸ PDE7B Q9NP56 3/20 0.45
▸ ACLY P53396 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KIF18A Q8NI77 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4D Q08499 1/20 0.43

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
SCHEMBL67686 0.87 ALDH1A1 (0.58) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL29836060 0.84 MAPK1 (0.52) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL5740032 0.84 MAPK1 (0.52) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL535457 0.84 MAPK1 (0.52) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL5149992 0.84 MAPK1 (0.52) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL357928 0.83 PDK1 (0.55) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
Ammonia Solution, Strong SCHEMBL28325235 0.82 MAPK1 (0.50) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL535352 0.81 MAPK1 (0.53) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL7783341 0.81 CYP1A2 (0.60) MAPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL28859046 0.81 MAPK1 (0.53) MAPK1TSHRVCAM1L3MBTL1ALDH1A1

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 20 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
CN-102718775-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV 2012-10-10 — — CN 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
CN-1794996-A Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA NV (BE) 2006-06-28 — — CN 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
EP-0937703-B1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-05-21 — — EP disclosed
US-6348617-B1 REACTING PYRUVIC ACID COMPOUND IN WATER WITH AMMONIUM OR ALKALI METAL BISULFITE TO GIVE AQUEOUS SOLUTION OF BISULFITE ADDUCT, ISOLATING BY PHASE SEPARATION, OPTIONALLY USING HYDROPHOBIC SOLVENT, CONTACTING WITH ACID TO DECOMPOSE ADDUCT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-19 — — US disclosed
EP-0901501-B1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 2001-10-17 — — EP disclosed
US-6153744-A LIGHT-CONTROLLED SYNTHESIS OF OLIGONUCLEOTIDES ON A DNA CHIP WOLFGANG PFLEIDERER (DE) 2000-11-28 — — US disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 — — EP disclosed
EP-0901501-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS Pfleiderer, Wolfgang (DE) 1999-03-17 — — EP disclosed
WO-1997044345-A1 NUCLEOSIDE DERIVATIVES WITH PHOTO-UNSTABLE PROTECTIVE GROUPS PFLEIDERER WOLFGANG (DE) 1997-11-27 — — 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 MAPK1 3902/4885TSHR 496/4885VCAM1 4576/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 MAPK1 3601/4885TSHR 1295/4885VCAM1 4632/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 MAPK1 4038/4885TSHR 433/4885VCAM1 4630/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 MAPK1 4018/4885TSHR 362/4885VCAM1 4741/4885

“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.