SCHEMBL17645869

SCHEMBL17645869

CC(C)(C)c1nnc(C(=O)NCc2ccc(B(O)O)cc2F)o1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.58
▸ EPHX2 P34913 3/20 0.43
▸ NR1H4 Q96RI1 2/20 0.43
▸ MAPT P10636 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL17645965 0.80 BTK (0.54) BTKEPHX2NR1H4POLBKMT2A
SCHEMBL17646045 0.77 EPHX2 (0.71) EPHX2NR1H4
SCHEMBL17645664 0.74 BTK (0.51) BTKEPHX2MAPTTP53POLB
SCHEMBL29925025 0.72 EPHX2 (0.41) EPHX2NR1H4
SCHEMBL2723309 0.72 EPHX2 (0.41) EPHX2NR1H4
SCHEMBL17339282 0.71 ALDH2 (0.45) POLBRXFP1MEN1KMT2A
SCHEMBL17339530 0.70 HPGD (0.61) BTKTP53POLB
SCHEMBL17339612 0.69 PDE10A (0.52) EPHX2TP53
SCHEMBL17645812 0.69 BTK (0.47) BTKEPHX2MAPT
SCHEMBL25210327 0.68 BTK (0.52) BTK

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-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — 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
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-07 — — US 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 (3 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN BTK 1/4885EPHX2 1940/4885NR1H4 3566/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885EPHX2 2154/4885NR1H4 3942/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885EPHX2 1940/4885NR1H4 3566/4885

“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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