SCHEMBL4164692

SCHEMBL4164692

Cc1ccc(NS(C)(=O)=O)cc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
KEAP1 Q14145 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.43
NR3C2 P08235 1/20 0.43
CYP17A1 P05093 1/20 0.43
KIF11 P52732 1/20 0.43
TNIK Q9UKE5 1/20 0.42
BRPF1 P55201 1/20 0.41

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
SCHEMBL1530154 0.85 CYP17A1 (0.47) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL11233535 0.82 PTGS1 (0.55) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL27182848 0.81 LMNA (0.40) ALDH1A1HPGDSMN1; SMN2LMNAGAA
SCHEMBL14414981 0.78 KAT2B (0.55) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL13164587 0.77 ADRA2C (0.54) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL1370637 0.77 CA12 (0.48) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL11239737 0.77 GAA (0.59) HPGDLMNACA2GAAMAPK1
SCHEMBL14113097 0.77 HSD17B2 (0.55) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL14757815 0.77 KAT2B (0.46) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL10890265 0.77 CA12 (0.48) KAT2BALDH1A1HPGDSMN1; SMN2KDM4E

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 4 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-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

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-20090099219-A1 ALKYNYLPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 KAT2B 3873/4885ALDH1A1 952/4885HPGD 1789/4885

“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.