SCHEMBL17645664

SCHEMBL17645664

Cc1cc(Br)ccc1CNC(=O)c1nnc(C(C)(C)C)o1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.51
▸ EPHX2 P34913 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.38
▸ SETDB1 Q15047 1/20 0.38
▸ MAPT P10636 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 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
SCHEMBL17645703 0.78 BTK (0.46) BTKEPHX2ALDH1A1MAPTKLKB1
SCHEMBL25245236 0.78 BTK (0.51) BTKEPHX2ALDH1A1MAPTMAPK1
SCHEMBL17645926 0.75 EPHX2 (0.74) BTKEPHX2RAB9A
SCHEMBL22659385 0.75 BTK (0.52) BTK
SCHEMBL29533743 0.75 BTK (0.52) BTK
SCHEMBL17645869 0.74 BTK (0.58) BTKEPHX2MAPTTP53POLB
SCHEMBL29418492 0.74 BTK (0.54) BTKEPHX2ALDH1A1SETDB1MAPT
SCHEMBL23605779 0.74 BTK (0.54) BTKEPHX2ALDH1A1SETDB1MAPT
SCHEMBL23304238 0.73 BTK (0.54) BTK
Hydrochloric Acid SCHEMBL31679701 0.73 BTK (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081514-A1 BTK INHIBITORS Biogen MA Inc. (US) 2022-11-02 — — EP disclosed
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
WO-2021133894-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2021-07-01 — — WO disclosed
WO-2021133894-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2021-07-01 — — WO 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
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 1940/4885ALDH1A1 4687/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885EPHX2 2154/4885ALDH1A1 4730/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885EPHX2 1940/4885ALDH1A1 4687/4885

“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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