SCHEMBL2820858

SCHEMBL2820858

CS(=O)(=Nc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 4/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
CA1 P00915 3/20 0.46
CA3 P07451 3/20 0.46
CA4 P22748 3/20 0.46
CA6 P23280 3/20 0.46
CA5A P35218 3/20 0.46
CA7 P43166 3/20 0.46
CA13 Q8N1Q1 3/20 0.46
CA14 Q9ULX7 3/20 0.46
CA5B Q9Y2D0 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PTGS2 P35354 2/20 0.46
AGTR1 P30556 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 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
SCHEMBL24862825 0.82 BRD4 (0.47) CA12CA2CA9ALDH1A1LMNA
SCHEMBL6299002 0.78 ALDH1A1 (0.50) CA12CA2CA9ALDH1A1LMNA
SCHEMBL2816215 0.77 KMT2A (0.45) CA12CA2CA9ALDH1A1LMNA
SCHEMBL2819599 0.77 CA2 (0.53) CA12CA2CA9ALDH1A1CA1
SCHEMBL4579124 0.77 NOS1 (0.52) CA12CA2CA9ALDH1A1CA1
Nitrobenzene SCHEMBL28275059 0.76 LMNA (0.76) CA12CA2CA9ALDH1A1LMNA
SCHEMBL4577770 0.72 NOS1 (0.47) CA12CA2CA9CA1CA3
Nitrobenzene SCHEMBL8084891 0.72 ALDH1A1 (0.70) CA12CA2CA9ALDH1A1LMNA
SCHEMBL7086378 0.72 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL270426 0.72 MEN1 (0.66) ALDH1A1LMNASMN1; SMN2AGTR1KMT2A

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
EP-2170839-B1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER IP GMBH (DE) 2015-09-09 EP disclosed
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-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-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
EP-2170839-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-04-07 EP 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
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
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
WO-2008155140-A1 ALKYNYLPYRIMIDINES AS TIE2 KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 WO disclosed
EP-1963282-A1 SULFOXIMINE-SUBSTITUTED PYRIMIDINES , THEIR PREPARATION AND USE AS DRUGS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP 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
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 CA12 2931/4885CA2 1063/4885CA9 2609/4885
US-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR CA12 4309/4885CA2 4328/4885CA9 3117/4885

“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.