SCHEMBL17660316

SCHEMBL17660316

COc1ccccc1-c1nc2c(-c3ccc(CNC(=O)c4ccc(C(C)(C)C)cc4)c(F)c3)ccnc2[nH]1

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 14/20 0.80
▸ EPHX2 P34913 3/20 0.46
▸ NR1H4 Q96RI1 2/20 0.46
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41

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
SCHEMBL17645928 0.89 BTK (0.63) BTKROCK2ROCK1KDM1AHDAC1
SCHEMBL17645914 0.88 BTK (0.62) BTKEPHX2NR1H4
SCHEMBL17645980 0.87 BTK (0.60) BTK
SCHEMBL17645990 0.87 BTK (0.60) BTK
SCHEMBL21207729 0.83 BTK (0.57) BTKROCK2ROCK1DGAT2
SCHEMBL17645673 0.81 BTK (0.80) BTK
SCHEMBL17645953 0.80 BTK (0.55) BTKEPHX2NR1H4
SCHEMBL17645973 0.80 BTK (0.65) BTKEPHX2NR1H4
SCHEMBL17645759 0.80 BTK (0.50) BTK
SCHEMBL17646017 0.80 BTK (0.56) BTKEPHX2NR1H4

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
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
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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