SCHEMBL14630543

SCHEMBL14630543

CC(C)(C)OC(=O)N1CCCC(n2nc(Br)c3c(N)ncnc32)C1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.68
▸ JAK3 P52333 7/20 0.68
▸ JAK1 P23458 5/20 0.68
▸ BTK Q06187 3/20 0.54
▸ EGFR P00533 7/20 0.53
▸ SRC P12931 4/20 0.53
▸ MAP2K7 O14733 1/20 0.51
▸ PIK3CD O00329 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ HCK P08631 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ PIK3CA P42336 1/20 0.50
▸ PIK3CB P42338 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ PIK3CG P48736 1/20 0.50
▸ EPHB4 P54760 1/20 0.50
▸ PRKDC P78527 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ ITK Q08881 1/20 0.50

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
SCHEMBL14630545 1.00 JAK2 (0.68) JAK2JAK3JAK1BTKEGFR
SCHEMBL18599031 0.90 BTK (0.55) JAK2JAK3JAK1BTKEGFR
SCHEMBL14654266 0.89 BTK (0.55) JAK2JAK3JAK1BTKEGFR
SCHEMBL31693318 0.89 JAK2 (0.54) JAK2JAK3JAK1BTKEGFR
SCHEMBL31693347 0.89 JAK2 (0.54) JAK2JAK3JAK1BTKEGFR
SCHEMBL1497755 0.89 EGFR (0.68) JAK2JAK3JAK1BTKEGFR
SCHEMBL29671261 0.89 EGFR (0.68) JAK2JAK3JAK1BTKEGFR
SCHEMBL29351446 0.89 EGFR (0.68) JAK2JAK3JAK1BTKEGFR
SCHEMBL1497754 0.89 EGFR (0.68) JAK2JAK3JAK1BTKEGFR
SCHEMBL4823191 0.89 EGFR (0.68) JAK2JAK3JAK1BTKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3643716-B1 HETEROARYL COMPOUND HAVING PHARMACEUTICAL ACTIVITY SHANGHAI DUDE MEDICAL TECH CO LTD (CN) 2022-05-04 — — EP disclosed
EP-3643716-A1 HETEROARYL COMPOUND HAVING PHARMACEUTICAL ACTIVITY Shanghai Dude Medical Technology Co., Ltd (CN) 2020-04-29 — — EP disclosed
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-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 — — 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 (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 JAK2 8/4885JAK3 19/4885JAK1 10/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 JAK2 8/4885JAK3 17/4885JAK1 9/4885

“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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