SCHEMBL16516950

SCHEMBL16516950

COc1ccc2c(C(=O)O)nn(-c3cccc(Br)c3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 1/20 0.47
▸ MAP3K14 Q99558 1/20 0.47
▸ STAT1 P42224 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL16516881 0.90 MAP3K14 (0.56) RPA1MAP3K14SMN1; SMN2RAB9A
SCHEMBL16517541 0.84 RPA1 (0.47) RPA1MAP3K14STAT1SMN1; SMN2ALDH1A1
SCHEMBL16517354 0.82 MAP3K14 (0.44) RPA1MAP3K14STAT1SMN1; SMN2ALDH1A1
SCHEMBL16516970 0.79 MAP3K14 (0.47) RPA1MAP3K14STAT1SMN1; SMN2EGFR
SCHEMBL16517335 0.78 MAP3K14 (0.46) RPA1MAP3K14STAT1SMN1; SMN2ALDH1A1
SCHEMBL16517765 0.78 RPA1 (0.56) RPA1MAP3K14SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16517342 0.77 RPA1 (0.49) RPA1MAP3K14STAT1ALDH1A1ATM
SCHEMBL16517175 0.76 ELANE (0.44) RPA1MAP3K14SMN1; SMN2KMT2AMAPK1
SCHEMBL16516840 0.76 RPA1 (0.56) RPA1MAP3K14SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16516962 0.74 MAP3K14 (0.56) RPA1MAP3K14SMN1; SMN2EGFRRAB9A

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 18 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
EP-3036230-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 — — EP 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
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 RPA1 3870/4885MAP3K14 514/4885STAT1 29/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA RPA1 3870/4885MAP3K14 514/4885STAT1 29/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA RPA1 3870/4885MAP3K14 514/4885STAT1 29/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA RPA1 3870/4885MAP3K14 514/4885STAT1 29/4885

“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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