SCHEMBL16516760

SCHEMBL16516760

Cn1ccc(-c2cnc3c(c2)c(C(=O)O)nn3-c2cccc(Br)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RPA1 P27694 1/20 0.40
▸ MAP3K14 Q99558 3/20 0.39
▸ MET P08581 1/20 0.37
▸ JMJD6 Q6NYC1 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ SPR P35270 2/20 0.36
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL16517577 0.91 MAP3K14 (0.47) MAP3K14METMKNK1MKNK2IKBKE
SCHEMBL16532610 0.89 ELANE (0.40) RPA1MAP3K14METJMJD6IKBKE
SCHEMBL16547228 0.86 MAP3K14 (0.52) RPA1MAP3K14METKDM4EKMT2A
SCHEMBL16516954 0.83 MAP3K14 (0.49) RPA1MAP3K14JMJD6KDM4EMKNK1
SCHEMBL16547230 0.77 MAP3K14 (0.62) MAP3K14METMKNK1MKNK2MAPK1
SCHEMBL16516737 0.77 MAP3K14 (0.44) RPA1MAP3K14METKDM4ESTAT1
SCHEMBL16547229 0.75 MAP3K14 (0.50) RPA1MAP3K14METMAPK1
SCHEMBL16517335 0.75 MAP3K14 (0.46) RPA1MAP3K14METKDM4ESTAT1
SCHEMBL16517249 0.74 MAP3K14 (0.51) MAP3K14KDM4EKMT2ASMN1; SMN2CNR2
SCHEMBL16517541 0.74 RPA1 (0.47) RPA1MAP3K14KDM4EKMT2ASTAT1

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 14 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-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 514/4885MET 2694/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA RPA1 3870/4885MAP3K14 514/4885MET 2694/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA RPA1 3870/4885MAP3K14 514/4885MET 2694/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA RPA1 3870/4885MAP3K14 514/4885MET 2694/4885

“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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