SCHEMBL16532689

SCHEMBL16532689

CCOC(=O)c1nn(-c2cccc(Br)c2)c2nc(C3CC3)ncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.46
▸ ELANE P08246 7/20 0.43
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA5 P31644 2/20 0.42
▸ CSNK1D P48730 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ADORA1 P30542 2/20 0.40
▸ FOS P01100 1/20 0.39
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ APP P05067 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL16532678 0.86 ELANE (0.47) MAP3K14ELANEGABRG2GABRB3GABRA5
SCHEMBL16517674 0.85 MAP3K14 (0.49) MAP3K14ALDH1A1RAB9AKDM4EHPGD
SCHEMBL16517101 0.82 ELANE (0.47) MAP3K14ELANEGABRG2GABRB3GABRA5
SCHEMBL16532652 0.82 ADORA1 (0.46) MAP3K14ELANEALDH1A1ADORA1FOS
SCHEMBL16532310 0.78 ELANE (0.56) ELANEALDH1A1ADORA1KDM4EHPGD
SCHEMBL16532605 0.78 MAP3K14 (0.80) MAP3K14
SCHEMBL18673618 0.76 ELANE (0.46) MAP3K14ELANEALDH1A1ADORA1NPC1
SCHEMBL16532568 0.75 ALDH1A1 (0.46) MAP3K14ELANEALDH1A1ADORA1MEN1
SCHEMBL16532697 0.75 ALDH1A1 (0.51) ELANEALDH1A1ADORA1APPMAPT
SCHEMBL16516728 0.75 ALDH1A1 (0.47) ELANEALDH1A1ADORA1MEN1KMT2A

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 16 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-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

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 514/4885ELANE 1188/4885GABRG2 2474/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885ELANE 1188/4885GABRG2 2474/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885ELANE 1188/4885GABRG2 2474/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885ELANE 1188/4885GABRG2 2474/4885

“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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