SCHEMBL16532551

SCHEMBL16532551

COC(=O)c1nn(-c2cccc(Br)c2)c2ccncc12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.47
▸ BTK Q06187 1/20 0.43
▸ RPA1 P27694 1/20 0.43
▸ MAP3K14 Q99558 1/20 0.42
▸ F2 P00734 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ GAA P10253 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RECQL P46063 1/20 0.38

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 0.86 ELANE (0.43) ELANEBTKMAP3K14F2PLAU
SCHEMBL16517333 0.86 ELANE (0.54) ELANERPA1MAP3K14F2PLAU
SCHEMBL16532664 0.83 ELANE (0.48) ELANERPA1MAP3K14F2PLAU
SCHEMBL16516995 0.82 ELANE (0.46) ELANERPA1MAP3K14F2PLAU
SCHEMBL16516751 0.82 ELANE (0.53) ELANERPA1F2PLAUGAA
SCHEMBL16547223 0.82 ELANE (0.53) ELANERPA1F2PLAUGAA
SCHEMBL16517679 0.82 ELANE (0.62) ELANERPA1MAP3K14GAACYP1A2
SCHEMBL16516701 0.82 ELANE (0.53) ELANERPA1MAP3K14F2PLAU
SCHEMBL16517426 0.81 ELANE (0.57) ELANERPA1F2PLAUCYP1A2
SCHEMBL16517651 0.81 ELANE (0.53) ELANERPA1MAP3K14F2PLAU

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 11 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-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-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
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 1188/4885BTK 2620/4885RPA1 3870/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885BTK 2620/4885RPA1 3870/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885BTK 2620/4885RPA1 3870/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ELANE 1188/4885BTK 2620/4885RPA1 3870/4885

“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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