SCHEMBL16532623

SCHEMBL16532623

COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(N3CCOCC3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 2/20 0.50
▸ MAPT P10636 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3R2 O00459 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ PIK3R5 Q8WYR1 1/20 0.40
▸ PIK3R3 Q92569 1/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 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
SCHEMBL16517249 0.88 MAP3K14 (0.51) MAP3K14NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16517783 0.87 MAP3K14 (0.60) MAP3K14PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL16534158 0.83 ELANE (0.43) MAP3K14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16532324 0.81 ELANE (0.49) MAP3K14MAPTRAB9ASMN1; SMN2CNR2
SCHEMBL16532430 0.81 MAP3K14 (0.44) MAP3K14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16532395 0.80 MAPT (0.45) MAP3K14MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16532452 0.80 ELANE (0.41) MAP3K14SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL16547227 0.79 ELANE (0.44) MAP3K14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL16532505 0.79 ELANE (0.39) MAP3K14SMN1; SMN2MEN1KMT2ARXFP1
SCHEMBL16547226 0.79 ELANE (0.41) MAP3K14MAPTSMN1; SMN2MEN1KMT2A

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 514/4885MAPT 2737/4885NPC1 814/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885MAPT 2737/4885NPC1 814/4885
US-20160200739-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885MAPT 2737/4885NPC1 814/4885
US-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885MAPT 2737/4885NPC1 814/4885

“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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