SCHEMBL16516726

SCHEMBL16516726

COC(=O)c1nn(-c2cccc(I)c2)c2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.42
▸ MPO P05164 1/20 0.41
▸ ELANE P08246 4/20 0.40
▸ F2 P00734 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ CYP2C9 P11712 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16517277 0.91 ELANE (0.43) MAP3K14MPOELANEF2PLAU
SCHEMBL18673582 0.87 GAA (0.53) MAP3K14ELANEF2PLAUGAA
SCHEMBL16517699 0.86 MAP3K14 (0.43) MAP3K14MPONPY5RRIPK1BTK
SCHEMBL16532431 0.86 ELANE (0.51) MAP3K14MPOELANEF2PLAU
SCHEMBL16532618 0.83 MAP3K14 (0.43) MAP3K14MPOELANEF2PLAU
SCHEMBL16532535 0.82 MAP3K14 (0.47) MAP3K14MPOELANEF2PLAU
SCHEMBL16532655 0.81 MAP3K14 (0.43) MAP3K14MPOELANEF2PLAU
SCHEMBL16516971 0.80 ELANE (0.48) MAP3K14MPOELANEGAACYP2C9
SCHEMBL16532551 0.77 ELANE (0.47) MAP3K14ELANEF2PLAUGAA
SCHEMBL16516710 0.76 MAP3K14 (0.43) MAP3K14MPOELANENPY5RRIPK1

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 18 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-05-25 — — US disclosed
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-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — 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-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (CA) 2016-07-14 — — US disclosed
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — US disclosed
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-04-07 — — 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
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
US-20150065482-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-03-05 — — US disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025025-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — 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 (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 MAP3K14 514/4885MPO 1468/4885ELANE 1188/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885MPO 1468/4885ELANE 1188/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885MPO 1468/4885ELANE 1188/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885MPO 1468/4885ELANE 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.

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