SCHEMBL17670796

SCHEMBL17670796

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c([C@@H]5CC5c5ccccc5)nc34)cc2F)n1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.62
▸ LCK P06239 2/20 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
SCHEMBL17645643 1.00 BTK (0.62) BTKLCK
SCHEMBL20878560 0.91 BTK (0.66) BTKLCK
SCHEMBL17645960 0.88 BTK (0.80) BTKLCK
SCHEMBL27457248 0.84 BTK (0.64) BTKLCK
SCHEMBL30950595 0.84 BTK (0.64) BTKLCK
SCHEMBL17645863 0.83 BTK (0.61) BTKLCK
SCHEMBL30950483 0.83 BTK (0.61) BTKLCK
SCHEMBL17645983 0.83 BTK (0.81) BTKLCK
SCHEMBL27453381 0.83 BTK (0.62) BTKLCK
SCHEMBL17660320 0.82 BTK (0.80) BTKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 — — EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — 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 (1 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-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885LCK 5/4885

“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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