SCHEMBL16506486

SCHEMBL16506486

COCCNc1ccc(-c2cc(Br)ccc2F)nc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.39
▸ MAP2K1 Q02750 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ MAP2K3 P46734 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HCAR3 P49019 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NCF1 P14598 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
SCHEMBL16516537 0.77 IDO1 (0.41) HPGDALDH1A1KDM4EIDO1HCAR3
SCHEMBL16506185 0.77 PTGER4 (0.46) PTGER4ALDH1A1IRAK4MAP2K3MAPK14
SCHEMBL16505577 0.76 IDO1 (0.40) HPGDALDH1A1KDM4EIDO1HCAR3
SCHEMBL16505728 0.76 PTGER4 (0.40) PTGER4ALDH1A1IRAK4IDO1HCAR3
SCHEMBL16505287 0.75 MAP2K3 (0.49) MAP2K3KDM4EIDO1GLA
SCHEMBL16506229 0.74 PIM1 (0.35) MAP2K1ALDH1A1MAP2K3MAPK14
SCHEMBL16506089 0.74 HCAR3 (0.41) PTGER4HPGDALDH1A1KDM4EHCAR3
SCHEMBL16517545 0.74 HCAR3 (0.41) ALDH1A1MAPK14KDM4EHCAR3L3MBTL1
SCHEMBL16505583 0.74 MAP3K14 (0.59) —
SCHEMBL16517729 0.74 MAP3K14 (0.38) —

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 — — US disclosed
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 — — US disclosed
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 — — WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — US disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 — — US 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 (3 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA PTGER4 797/4885MAP2K1 3524/4885HPGD 1562/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA PTGER4 797/4885MAP2K1 3524/4885HPGD 1562/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA PTGER4 797/4885MAP2K1 3524/4885HPGD 1562/4885

“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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