SCHEMBL13835162

SCHEMBL13835162

Cc1ccc(S(=O)(=O)n2cc(C#N)c3cncnc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
PTGS2 P35354 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR6 P51684 1/20 0.38
POLB P06746 1/20 0.38
ALDH3A1 P30838 1/20 0.38
HTT P42858 1/20 0.38
NOD1 Q9Y239 1/20 0.38
MAPT P10636 1/20 0.37
ELANE P08246 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 2/20 0.36
UBE2N P61088 1/20 0.36
PTPN11 Q06124 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL13834845 0.84 BRD4 (0.45) L3MBTL1ALDH1A1MEN1LMNAKMT2A
SCHEMBL5074943 0.81 CA1 (0.48) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL3388837 0.81 ENPP3 (0.40) HSD11B1PTGS2L3MBTL1ALDH1A1TDP1
SCHEMBL31246045 0.77 HTR6 (0.48) L3MBTL1ALDH1A1MEN1LMNAKMT2A
SCHEMBL29605532 0.74 CA1 (0.43) HSD11B1PTGS2L3MBTL1ALDH1A1TDP1
SCHEMBL20839195 0.74 BRD4 (0.48) HSD11B1L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL5136088 0.74 L3MBTL1 (0.36) L3MBTL1POLBALDH3A1HTTNOD1
SCHEMBL28658988 0.73 KDM4E (0.63) PTGS2L3MBTL1POLBALDH3A1HTT
SCHEMBL1749083 0.72 L3MBTL1 (0.55) HSD11B1L3MBTL1ALDH1A1TDP1MEN1
SCHEMBL4012555 0.72 L3MBTL1 (0.49) HSD11B1L3MBTL1ALDH1A1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709997-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-06-29 EP disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
US-8729078-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-05-20 US disclosed
EP-2709997-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2014-03-26 EP disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
WO-2012156334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 US disclosed
US-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2012-11-22 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-20120295885-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN HSD11B1 2241/4885PTGS2 1829/4885L3MBTL1 3088/4885

“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.