SCHEMBL14636749

SCHEMBL14636749

CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](c2nc(Br)c3c(Cl)nccn23)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ TNK2 Q07912 1/20 0.41
▸ USP30 Q70CQ3 3/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ SUV39H2 Q9H5I1 2/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ SETD7 Q8WTS6 1/20 0.34
▸ DTYMK P23919 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ KCNK3 O14649 1/20 0.33
▸ KCNK9 Q9NPC2 1/20 0.33
▸ HPGDS O60760 1/20 0.33

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
SCHEMBL14636750 1.00 POLB (0.41) POLBTNK2USP30GRIA1SUV39H2
SCHEMBL18099745 0.84 TNK2 (0.49) POLBTNK2USP30GRIA1GPR119
SCHEMBL16748868 0.84 TNK2 (0.51) POLBTNK2USP30GPR119BTK
SCHEMBL18345372 0.84 TNK2 (0.51) POLBTNK2USP30GPR119BTK
SCHEMBL18099750 0.82 TNK2 (0.51) POLBTNK2GPR119HPGDS
SCHEMBL15913642 0.82 TNK2 (0.41) POLBTNK2USP30GRIA1GPR119
SCHEMBL15914287 0.82 TNK2 (0.41) POLBTNK2USP30GRIA1GPR119
SCHEMBL14636870 0.82 POLB (0.43) POLBTNK2USP30GPR119HPGDS
SCHEMBL14636867 0.82 POLB (0.43) POLBTNK2USP30GPR119HPGDS
SCHEMBL15913753 0.81 TNK2 (0.40) POLBTNK2USP30GRIA1SUV39H2

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-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 — — EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 — — EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 — — 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 (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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 POLB 2510/4885TNK2 203/4885USP30 2441/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 POLB 2169/4885TNK2 188/4885USP30 2486/4885

“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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