SCHEMBL16532418

SCHEMBL16532418

COc1cnc2c(c1)c(C(N)=O)nn2-c1cccc(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 11/20 0.57
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RPA1 P27694 1/20 0.46
PDE4A P27815 1/20 0.41
NPBWR1 P48145 1/20 0.41
RIPK2 O43353 1/20 0.40
SPR P35270 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 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
SCHEMBL16532324 0.89 ELANE (0.49) MAP3K14RAB9ASMN1; SMN2RPA1NPBWR1
SCHEMBL16516962 0.83 MAP3K14 (0.56) MAP3K14RAB9ASMN1; SMN2RPA1PDE4A
SCHEMBL16532425 0.83 MAP3K14 (0.54) MAP3K14RAB9ASMN1; SMN2PDE4A
SCHEMBL16516399 0.80 RPA1 (0.46) MAP3K14RAB9ASMN1; SMN2RPA1PDE4A
SCHEMBL16517577 0.80 MAP3K14 (0.47) MAP3K14PDE4A
SCHEMBL16532454 0.80 MAP3K14 (0.48) MAP3K14PDE4A
SCHEMBL16532311 0.79 PDE4A (0.60) MAP3K14RAB9ASMN1; SMN2PDE4A
SCHEMBL16516881 0.79 MAP3K14 (0.56) MAP3K14RAB9ASMN1; SMN2RPA1PDE4A
SCHEMBL16547230 0.79 MAP3K14 (0.62) MAP3K14PDE4A
SCHEMBL16517472 0.78 MAP3K14 (0.57) MAP3K14RAB9ASMN1; SMN2RPA1EGFR

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 514/4885RAB9A 1461/4885SMN1; SMN2 2806/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885RAB9A 1461/4885SMN1; SMN2 2806/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885RAB9A 1461/4885SMN1; SMN2 2806/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885RAB9A 1461/4885SMN1; SMN2 2806/4885

“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.