SCHEMBL16532652

SCHEMBL16532652

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.46
▸ APP P05067 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.45
▸ ELANE P08246 7/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ NFKB1 P19838 4/20 0.41
▸ NFKB2 Q00653 4/20 0.41
▸ RELA Q04206 4/20 0.41
▸ FOS P01100 3/20 0.41
▸ JUN P05412 3/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP19A1 P11511 3/20 0.39
▸ NPC1 O15118 1/20 0.39

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 0.87 ELANE (0.47) ADORA1APPMAPTMAP3K14ELANE
SCHEMBL16516408 0.85 MAP3K14 (0.47) MAP3K14ALDH1A1LMNASMN1; SMN2
SCHEMBL16532689 0.82 MAP3K14 (0.46) ADORA1APPMAPTMAP3K14ELANE
SCHEMBL16517101 0.81 ELANE (0.47) ADORA1APPMAPTMAP3K14ELANE
SCHEMBL16532310 0.79 ELANE (0.56) ADORA1ELANEALDH1A1
SCHEMBL16532653 0.77 MAP3K14 (0.80) MAP3K14
SCHEMBL16532697 0.76 ALDH1A1 (0.51) ADORA1APPMAPTELANEALDH1A1
SCHEMBL17233527 0.75 PDE4A (0.51) ADORA1APPMAPTELANEALDH1A1
SCHEMBL18673618 0.75 ELANE (0.46) ADORA1MAP3K14ELANEALDH1A1SMN1; SMN2
SCHEMBL16516769 0.74 ALDH1A1 (0.46) ADORA1APPMAPTMAP3K14ELANE

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 ADORA1 258/4885APP 1564/4885MAPT 2737/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ADORA1 258/4885APP 1564/4885MAPT 2737/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ADORA1 258/4885APP 1564/4885MAPT 2737/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA ADORA1 258/4885APP 1564/4885MAPT 2737/4885

“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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