SCHEMBL20520051

SCHEMBL20520051

CN(C)C(=O)C(C)(C)n1cc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.37
PLAU P00749 4/20 0.37
F2 P00734 1/20 0.37
KLKB1 P03952 1/20 0.37
MAP4K1 Q92918 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EML4 Q9HC35 1/20 0.32
ALK Q9UM73 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3766982 0.84 LMNA (0.43) ELANEPLAUF2KLKB1CYP46A1
SCHEMBL21995832 0.80 ELANE (0.40) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL15652876 0.79 MAP4K1 (0.39) MAP4K1EML4ALK
SCHEMBL18622410 0.79 ELANE (0.39) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL20519689 0.76 MAP4K4 (0.38) ELANEPLAUF2KLKB1MAP4K1
SCHEMBL1582341 0.76 ELANE (0.37) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL31370396 0.75 ELANE (0.36) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL20757986 0.74 ABCC9 (0.33) MAP4K1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL673370 0.73 ALDH1A1 (0.35) ELANEPLAUF2KLKB1ALDH1A1
SCHEMBL13412138 0.72 CYP4F2 (0.43) ELANEPLAUF2KLKB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 EP disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US disclosed
US-11034692-B1 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2021-06-15 US disclosed
EP-3601284-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US disclosed
US-10407424-B2 Naphthyridines as inhibitors of HPK1 GENENTECH, INC. (US) 2019-09-10 US disclosed
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 US disclosed
WO-2018183956-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2018-10-04 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-10407424-B2 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 ELANE 929/4885PLAU 2650/4885F2 4345/4885
US-20180282328-A1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 NEK1, NEK5, NEK11 ELANE 929/4885PLAU 2650/4885F2 4345/4885
US-11034692-B1 Naphthyridines as inhibitors of HPK1 NEK1, NEK5, NEK11 ELANE 929/4885PLAU 2650/4885F2 4345/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ELANE 3141/4885PLAU 2646/4885F2 2014/4885

“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.