SCHEMBL18673460

SCHEMBL18673460

COC(=O)c1nn(-c2cccc(C)c2)c2nc(Cl)ccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.52
▸ ELANE P08246 4/20 0.45
▸ F2 P00734 3/20 0.45
▸ PLAU P00749 3/20 0.45
▸ MAP3K14 Q99558 1/20 0.44
▸ NPBWR1 P48145 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ CTRB1 P17538 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 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
SCHEMBL16517175 0.88 ELANE (0.44) GAAELANEF2PLAUMAP3K14
SCHEMBL16517591 0.88 MAP3K14 (0.44) GAAMAP3K14KMT2AMEN1TDP1
SCHEMBL18673601 0.86 MAP3K14 (0.57) GAAELANEMAP3K14NPY5RGRM1
SCHEMBL18673586 0.81 GAA (0.56) GAAELANEF2PLAUMAP3K14
SCHEMBL18673430 0.79 MAP3K14 (0.51) GAAELANEF2PLAUMAP3K14
SCHEMBL18673502 0.77 ELANE (0.65) GAAELANEF2PLAUCTRB1
SCHEMBL18673413 0.74 GAA (0.53) GAAELANEF2PLAUMAP3K14
SCHEMBL18673582 0.74 GAA (0.53) GAAELANEF2PLAUMAP3K14
SCHEMBL16517347 0.73 MAP3K14 (0.44) GAAMAP3K14KMT2AMEN1ALDH1A1
SCHEMBL16517354 0.73 MAP3K14 (0.44) GAAMAP3K14ALDH1A1MAPK1KDM4E

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 2 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-9605005-B2 Alkynyl alcohols and methods of use GENENTECH, INC. (US) 2017-03-28 — — 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 (1 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-20170145034-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, RELA GAA 1695/4885ELANE 1188/4885F2 1432/4885

“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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