SCHEMBL16671808

SCHEMBL16671808

C=CC(=O)NC1CCN(c2ccc(C(N)=O)c(Nc3ccc(C(=O)N(C)C)cc3)n2)C1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.78
▸ KCNH2 Q12809 4/20 0.73
▸ EGFR P00533 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ JAK3 P52333 1/20 0.55

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
SCHEMBL16676620 1.00 BTK (0.78) BTKKCNH2EGFRLCKJAK3
SCHEMBL16676678 0.90 BTK (0.80) BTKKCNH2
SCHEMBL20998569 0.89 BTK (0.61) BTKKCNH2EGFRLCKJAK3
SCHEMBL28106556 0.87 BTK (0.59) BTKKCNH2EGFRLCKJAK3
SCHEMBL16670815 0.87 BTK (0.79) BTKKCNH2
SCHEMBL16671728 0.87 BTK (0.79) BTKKCNH2
SCHEMBL16671370 0.86 BTK (0.81) BTKKCNH2
SCHEMBL16676814 0.86 BTK (0.81) BTKKCNH2
SCHEMBL16676758 0.86 BTK (0.82) BTKKCNH2
SCHEMBL20998488 0.86 BTK (0.82) BTKKCNH2

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 5 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
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 — — EP 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 1/4885KCNH2 2256/4885EGFR 572/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885KCNH2 2256/4885EGFR 572/4885

“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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