SCHEMBL14896325

SCHEMBL14896325

O=S(=O)(Cl)c1ccc2ncnn2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.41
PIK3CD O00329 1/20 0.40
NAMPT P43490 1/20 0.40
SCN5A Q14524 1/20 0.39
CHRM5 P08912 10/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGFBR1 P36897 2/20 0.35
TNIK Q9UKE5 1/20 0.33
PDE4B Q07343 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL14895486 0.74 PIK3CD (0.40) DYRK1APIK3CDCHRM5ALDH1A1HSD17B10
SCHEMBL25209473 0.74 ALDH1A1 (0.41) PIK3CDALDH1A1HSD17B10TDP1PDE4B
SCHEMBL14907579 0.71 CHRM5 (0.33) DYRK1APIK3CDCHRM5CYP3A4CYP2D6
SCHEMBL651902 0.68 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1CYP3A4CYP2C9
SCHEMBL16825381 0.68 MEN1 (0.51) DYRK1ANAMPTCYP2C9
SCHEMBL421292 0.67 DYRK1A (0.47) DYRK1APIK3CDSCN5ATGFBR1
SCHEMBL18077230 0.67 SCN5A (0.47) DYRK1APIK3CDSCN5ACHRM5TGFBR1
SCHEMBL3384490 0.67 DYRK1A (0.56) DYRK1APIK3CDSCN5ACHRM5TGFBR1
SCHEMBL1585961 0.67 DYRK1A (0.47) DYRK1APIK3CDNAMPTSCN5ACHRM5
SCHEMBL3326856 0.67 DYRK1A (0.47) DYRK1APIK3CDNAMPTSCN5ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771332-B1 Thiophen and thiazol sulfonamid derivatives as HIV protease inhibitors for the treatment of AIDS MERCK CANADA INC (CA) 2016-06-29 EP disclosed
EP-2771332-B1 Thiophen and thiazol sulfonamid derivatives as HIV protease inhibitors for the treatment of AIDS MERCK CANADA INC (CA) 2016-06-29 EP disclosed
US-9133157-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-09-15 US disclosed
US-9133157-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-09-15 US disclosed
US-20140303171-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-10-09 US disclosed
US-20140303171-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-10-09 US disclosed
EP-2771332-A1 HIV PROTEASE INHIBITORS Merck Canada Inc. (CA) 2014-09-03 EP disclosed
WO-2013059928-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2013-05-02 WO disclosed
WO-2013059928-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2013-05-02 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-20140303171-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, PRSS3 DYRK1A 4264/4885PIK3CD 2930/4885NAMPT 1571/4885

“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.