SCHEMBL16676700

SCHEMBL16676700

CC(C)(C)OC(=O)N[C@H]1CCN(c2ncc(C#N)c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)C1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.57
▸ JAK3 P52333 3/20 0.48
▸ LCK P06239 3/20 0.48
▸ EGFR P00533 1/20 0.48

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
SCHEMBL20998689 1.00 BTK (0.57) BTKJAK3LCKEGFR
SCHEMBL18069917 0.87 BTK (0.75) BTKJAK3EGFR
SCHEMBL20998681 0.87 BTK (0.75) BTKJAK3EGFR
SCHEMBL18044988 0.86 BTK (0.50) BTKJAK3LCKEGFR
SCHEMBL18044987 0.86 BTK (0.50) BTKJAK3LCKEGFR
SCHEMBL18068376 0.85 BTK (0.55) BTKJAK3EGFR
SCHEMBL16763797 0.81 BTK (0.62) BTKJAK3LCKEGFR
SCHEMBL16763798 0.81 BTK (0.62) BTKJAK3LCKEGFR
SCHEMBL16763638 0.78 BTK (0.79) BTKJAK3LCKEGFR
SCHEMBL16763639 0.78 BTK (0.79) BTKJAK3LCKEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 — — US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 — — EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 — — US disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 — — 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK BTK 1/4885JAK3 27/4885LCK 3/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885JAK3 27/4885LCK 3/4885

“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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