SCHEMBL2820181

SCHEMBL2820181

CCOC(=O)N=S(=O)(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.72
RAB9A P51151 1/20 0.72
ALDH1A1 P00352 4/20 0.58
GAA P10253 1/20 0.58
AR P10275 3/20 0.54
HSD11B1 P28845 1/20 0.48
KMT2A Q03164 4/20 0.47
MAPK1 P28482 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
NOD2 Q9HC29 1/20 0.47
NOD1 Q9Y239 1/20 0.47
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2820268 0.82 HPGD (0.62) HPGDRAB9AALDH1A1GAAAR
SCHEMBL2821089 0.82 HPGD (0.62) HPGDRAB9AALDH1A1GAAAR
SCHEMBL2817724 0.82 POLB (0.51) HPGDRAB9AALDH1A1GAAHSD11B1
SCHEMBL12390715 0.77 HPGD (0.57) HPGDRAB9AALDH1A1GAAKMT2A
SCHEMBL2820587 0.77 HPGD (0.57) HPGDRAB9AALDH1A1GAAAR
SCHEMBL2815972 0.77 HPGD (0.57) HPGDRAB9AALDH1A1GAAKMT2A
SCHEMBL28443830 0.76 HSD11B1 (0.57) HPGDRAB9AALDH1A1GAAHSD11B1
SCHEMBL7422328 0.74 KMT2A (0.64) HPGDRAB9AALDH1A1KMT2AMAPK1
SCHEMBL6748121 0.73 PKM (0.51) HPGDRAB9AALDH1A1GAAAR
Nitrobenzene SCHEMBL9326043 0.72 ALDH1A1 (0.55) HPGDRAB9AALDH1A1GAAAR

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
EP-2170839-B1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER IP GMBH (DE) 2015-09-09 EP disclosed
US-8642611-B2 Alkynylpyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8524724-B2 2013-09-03 US disclosed
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-7825128-B2 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER SCHERING PHARMA AG (DE) 2010-11-02 US disclosed
US-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-04-16 US disclosed
EP-2022785-A1 Alkynylpyrimidines as Tie2 kinase inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-11 EP disclosed
WO-2008155140-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs BAYER INTELLECTUAL PROPERTY GMBH (DE) 2007-10-04 US disclosed
WO-2007071455-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 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-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 HPGD 1789/4885RAB9A 4643/4885ALDH1A1 952/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR HPGD 194/4885RAB9A 3649/4885ALDH1A1 328/4885

“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.