SCHEMBL21986704

SCHEMBL21986704

COC(=O)c1c(Br)ccc2c1cnn2C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ ROCK1 Q13464 2/20 0.36
▸ EEF2K O00418 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PRKX P51817 1/20 0.36
▸ NEK4 P51957 1/20 0.36
▸ PRKG2 Q13237 1/20 0.36
▸ PKN2 Q16513 1/20 0.36
▸ TAOK1 Q7L7X3 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ PBK Q96KB5 1/20 0.36
▸ SLK Q9H2G2 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ MAP3K20 Q9NYL2 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ KMT2A Q03164 2/20 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
SCHEMBL21986890 0.86 NPC1 (0.37) ELANEROCK2ROCK1EEF2KMAP4K4
SCHEMBL24427867 0.81 ELANE (0.39) ELANEROCK2ROCK1EEF2KMAP4K4
SCHEMBL31050058 0.81 ELANE (0.39) ELANEROCK2ROCK1EEF2KMAP4K4
SCHEMBL25395149 0.81 ELANE (0.39) ELANEROCK2ROCK1EEF2KMAP4K4
SCHEMBL17632197 0.78 NPC1 (0.46) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL30376133 0.78 NPC1 (0.46) ELANEKMT2AMEN1NPC1RAB9A
SCHEMBL20839556 0.78 UCHL1 (0.43) ELANEROCK2ROCK1EEF2KMAP4K4
SCHEMBL30949553 0.78 CYP1A2 (0.42) ELANECYP1A2CYP2C19KMT2AMEN1
SCHEMBL1580313 0.78 GABRG2 (0.39) ELANEROCK2ROCK1EEF2KMAP4K4
SCHEMBL23043526 0.77 ELANE (0.40) ELANEROCK2ROCK1EEF2KMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 — — EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 — — US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 — — US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 — — US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 — — US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 — — EP 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-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ELANE 3508/4885ROCK2 4413/4885ROCK1 4055/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ELANE 3508/4885ROCK2 4413/4885ROCK1 4055/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B ELANE 3508/4885ROCK2 4413/4885ROCK1 4055/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B ELANE 3508/4885ROCK2 4413/4885ROCK1 4055/4885

“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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