SCHEMBL16532610

SCHEMBL16532610

COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(-c3ccn(C)n3)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.39
▸ MET P08581 1/20 0.39
▸ RPA1 P27694 1/20 0.38
▸ MAP3K14 Q99558 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL16516760 0.89 RPA1 (0.40) JMJD6METRPA1MAP3K14IKBKE
SCHEMBL16517577 0.88 MAP3K14 (0.47) METMAP3K14IKBKETBK1
SCHEMBL16547229 0.87 MAP3K14 (0.50) ELANEMETRPA1MAP3K14GAA
SCHEMBL16532545 0.84 ELANE (0.48) ELANEJMJD6RPA1MAP3K14GAA
SCHEMBL16534158 0.83 ELANE (0.43) ELANEMETRPA1MAP3K14GAA
SCHEMBL16532430 0.83 MAP3K14 (0.44) ELANEMETRPA1MAP3K14GAA
SCHEMBL16532324 0.83 ELANE (0.49) ELANEMETRPA1MAP3K14GAA
SCHEMBL16547227 0.81 ELANE (0.44) ELANEMETRPA1MAP3K14GAA
SCHEMBL16547226 0.80 ELANE (0.41) ELANEMETRPA1MAP3K14GAA
SCHEMBL16532452 0.79 ELANE (0.41) ELANEMETRPA1MAP3K14GAA

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 12 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
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
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 ELANE 1188/4885JMJD6 1763/4885MET 2694/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885JMJD6 1763/4885MET 2694/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885JMJD6 1763/4885MET 2694/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885JMJD6 1763/4885MET 2694/4885

“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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