SCHEMBL16547229

SCHEMBL16547229

COC(=O)c1nn(-c2cccc(Br)c2)c2ncc(-c3cnn(C)c3)cc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 3/20 0.50
▸ HDAC8 Q9BY41 1/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ELANE P08246 3/20 0.39
▸ FGFR2 P21802 3/20 0.37
▸ FGFR3 P22607 3/20 0.37
▸ KDR P35968 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ RPA1 P27694 1/20 0.37
▸ MET P08581 3/20 0.37
▸ FGFR1 P11362 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALK Q9UM73 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
SCHEMBL16547228 0.89 MAP3K14 (0.52) MAP3K14HDAC8AURKBMAPK1FGFR2
SCHEMBL16547230 0.89 MAP3K14 (0.62) MAP3K14AURKBMAPK1MET
SCHEMBL16532610 0.87 ELANE (0.40) MAP3K14ELANERPA1METGAA
SCHEMBL16516884 0.86 ELANE (0.46) MAP3K14HDAC8AURKBMAPK1ELANE
SCHEMBL16532430 0.81 MAP3K14 (0.44) MAP3K14ELANERPA1METGAA
SCHEMBL16532324 0.81 ELANE (0.49) MAP3K14ELANERPA1METGAA
SCHEMBL16534158 0.81 ELANE (0.43) MAP3K14ELANERPA1METGAA
SCHEMBL16532452 0.80 ELANE (0.41) MAP3K14ELANERPA1METGAA
SCHEMBL16547227 0.79 ELANE (0.44) MAP3K14ELANERPA1METGAA
SCHEMBL16547226 0.79 ELANE (0.41) MAP3K14ELANERPA1METGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 514/4885HDAC8 599/4885AURKB 771/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885HDAC8 599/4885AURKB 771/4885

“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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