SCHEMBL16547225

SCHEMBL16547225

COC(=O)c1nn(-c2cc(Br)cc(C(C)C)c2)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.41
KCNH2 Q12809 2/20 0.41
ELANE P08246 5/20 0.40
MAP3K14 Q99558 3/20 0.38
NPBWR1 P48145 1/20 0.37
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTR3A P46098 1/20 0.36
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL16532543 0.93 PDE4A (0.41) PDE4AKCNH2ELANEMAP3K14KDM4E
SCHEMBL16532672 0.87 MAP3K14 (0.43) PDE4AKCNH2ELANEMAP3K14KDM4E
SCHEMBL16532409 0.87 MAP3K14 (0.46) PDE4AKCNH2ELANEMAP3K14KDM4E
SCHEMBL16532372 0.87 MAP3K14 (0.44) PDE4AKCNH2ELANEMAP3K14KDM4E
SCHEMBL16532478 0.86 MAP3K14 (0.44) PDE4AKCNH2ELANEMAP3K14KDM4E
SCHEMBL18883248 0.86 PDE4A (0.39) PDE4AKCNH2ELANEMAP3K14KDM4E
SCHEMBL16534107 0.86 HTR3A (0.37) PDE4AKCNH2ELANEMAP3K14HTR3A
SCHEMBL16532529 0.85 MAP3K14 (0.38) PDE4AKCNH2ELANEMAP3K14KDM4E
SCHEMBL16532313 0.84 PDE4A (0.48) PDE4AKCNH2ELANEMAP3K14GAA
SCHEMBL16532572 0.84 MAP3K14 (0.42) PDE4AELANEMAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 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 (4 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-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA PDE4A 1474/4885KCNH2 1777/4885ELANE 1188/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA PDE4A 1474/4885KCNH2 1777/4885ELANE 1188/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA PDE4A 1474/4885KCNH2 1777/4885ELANE 1188/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA PDE4A 1474/4885KCNH2 1777/4885ELANE 1188/4885

“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.