SCHEMBL16547237

SCHEMBL16547237

COC(=O)c1nn(-c2cccc(Br)c2)c2cc(C#N)ncc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 4/20 0.47
▸ ELANE P08246 8/20 0.45
▸ CNR2 P34972 3/20 0.41
▸ CNR1 P21554 2/20 0.41
▸ RPA1 P27694 1/20 0.39
▸ F2 P00734 2/20 0.37
▸ PLAU P00749 2/20 0.37
▸ MET P08581 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 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
SCHEMBL16532664 0.85 ELANE (0.48) MAP3K14ELANERPA1F2PLAU
SCHEMBL16516995 0.84 ELANE (0.46) MAP3K14ELANERPA1F2PLAU
SCHEMBL16516697 0.83 ELANE (0.46) MAP3K14ELANECNR2CNR1RPA1
SCHEMBL16517631 0.81 ELANE (0.51) MAP3K14ELANECNR2CNR1RPA1
SCHEMBL16517329 0.80 ELANE (0.56) MAP3K14ELANECNR2CNR1RPA1
SCHEMBL16532551 0.80 ELANE (0.47) MAP3K14ELANERPA1F2PLAU
SCHEMBL16517333 0.79 ELANE (0.54) MAP3K14ELANERPA1F2PLAU
SCHEMBL16517143 0.78 ELANE (0.49) MAP3K14ELANECNR2CNR1RPA1
SCHEMBL16517679 0.78 ELANE (0.62) MAP3K14ELANECNR2CNR1RPA1
SCHEMBL16516630 0.78 ELANE (0.47) MAP3K14ELANERPA1F2PLAU

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 514/4885ELANE 1188/4885CNR2 836/4885
US-20160096850-A9 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA MAP3K14 514/4885ELANE 1188/4885CNR2 836/4885

“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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