SCHEMBL906246

SCHEMBL906246

Cc1ccc(S(=O)(=O)O)c(C(C)Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
CASP6 P55212 1/20 0.36
ELAVL1 Q15717 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
FABP3 P05413 1/20 0.34

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
SCHEMBL30666645 0.85 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL531432 0.85 LMNA (0.47) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30716899 0.85 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9101570 0.85 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL30667146 0.85 LMNA (0.38) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL8464278 0.84 LMNA (0.37) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL242353 0.82 LMNA (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL21403141 0.82 LMNA (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL28435125 0.82 LMNA (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL9614144 0.81 MEP1B (0.36) LMNATRPA1CHRM1SLC6A2ADRA1A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2015-05-14 US disclosed
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2013-10-17 US disclosed
US-8324205-B2 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-8022071-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-20 US disclosed
EP-1309568-B1 [(quinazolin-4-yl)piperazin-4-yl]thiocarboxamide compounds as inhibitors of the phosphorylation of a PDGF receptor MILLENNIUM PHARM INC (US) 2011-02-16 EP disclosed
EP-2277877-A1 Quinazoline derivatives as kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-26 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-20040176594-A1 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-09-09 US disclosed
EP-1315715-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2003-06-04 EP disclosed
EP-1309568-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 EP disclosed
WO-2002016361-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 WO disclosed
WO-2002016351-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS COR THERAPEUTICS, INC. (US) 2002-02-28 WO disclosed
EP-0233461-B1 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 1996-03-20 EP disclosed
US-4876252-A ADMINISTERING ANTIASTHMATIC OR ANTIALLERGEN AMERICAN CYANAMID COMPANY (US) 1989-10-24 US disclosed
US-4788195-A TREATING ASTHMA, ALLERGIC DISEASES, INFLAMMATION AND DIABETES IN MAMMALS AMERICAN CYANAMID COMPANY (US) 1988-11-29 US disclosed
EP-0233461-A2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID COMPANY (US) 1987-08-26 EP 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-20150133439-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 LMNA 4350/4885TRPA1 3861/4885CHRM1 4433/4885
US-20130274252-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 LMNA 4350/4885TRPA1 3861/4885CHRM1 4433/4885
US-20040176594-A1 Nitrogenous heterocyclic compounds WNK2, NPR1, NPR3 LMNA 3668/4885TRPA1 3224/4885CHRM1 3707/4885
US-20100113468-A1 QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS WNK2, WNK1, WNK3 LMNA 4350/4885TRPA1 3861/4885CHRM1 4433/4885

“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.