SCHEMBL2819965

SCHEMBL2819965

COCCOc1nc(Cl)ncc1-c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 9/20 0.38
CYP1A2 P05177 9/20 0.38
CASP1 P29466 9/20 0.38
CASP7 P55210 9/20 0.38
HSD17B10 Q99714 8/20 0.38
CYP3A4 P08684 8/20 0.38
CYP2C9 P11712 5/20 0.38
CYP2C19 P33261 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
MAPK1 P28482 4/20 0.38
CLK4 Q9HAZ1 1/20 0.38
TSHR P16473 3/20 0.38
HTT P42858 1/20 0.37
HIF1A Q16665 7/20 0.37
HPGD P15428 4/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL2818485 0.88 ALDH1A1 (0.41) GLAKDM4EGAAALDH1A1CYP1A2
SCHEMBL2816892 0.85 JUN (0.35) KDM4EGAAALDH1A1CASP1CASP7
SCHEMBL2819568 0.85 NPC1 (0.44) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL2818592 0.83 JUN (0.34) KDM4EGAAALDH1A1CASP1CASP7
SCHEMBL2819583 0.78 GABRA1 (0.36) KDM4EGAAALDH1A1MEN1KMT2A
SCHEMBL13021642 0.78 FYN (0.34) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL2817912 0.78 FYN (0.34) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL2816992 0.77 LMNA (0.45) GLAKDM4EGAAALDH1A1CASP1
SCHEMBL22895389 0.72 TSHR (0.41) KDM4EGAAALDH1A1MAPK1TSHR
SCHEMBL13021652 0.72 IRAK1 (0.43) GLAKDM4EGAAALDH1A1CYP1A2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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
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 (1 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-20070232632-A1 Sulfoximine-substituted pyrimidines, processes for production thereof and use thereof as drugs TYMS, DPYD, DHFR GLA 2666/4885KDM4E 3039/4885GAA 985/4885

“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.