SCHEMBL17645836

SCHEMBL17645836

COc1cccc(-c2nc3c(-c4cc(F)c(CNC(=O)OC(C)(C)C)cc4C)ccnc3[nH]2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 10/20 0.40
▸ GSK3B P49841 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ PIN1 Q13526 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ BTK Q06187 2/20 0.37
▸ HCRTR1 O43613 1/20 0.36

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
SCHEMBL17664641 0.89 BTK (0.46) DGAT2DHODHBTK
SCHEMBL17645715 0.84 BTK (0.54) DGAT2GSK3BBTK
SCHEMBL17664696 0.83 BTK (0.51) BTK
SCHEMBL17664691 0.81 BTK (0.47) BTK
SCHEMBL17664692 0.79 BTK (0.46) BTK
SCHEMBL17645870 0.79 BTK (0.56) BTK
SCHEMBL17645910 0.79 BTK (0.43) BTK
SCHEMBL17646025 0.76 BTK (0.42) BTK
SCHEMBL30950565 0.76 BTK (0.42) BTK
SCHEMBL17645990 0.76 BTK (0.60) 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 5 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
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 DGAT2 2648/4885GSK3B 167/4885GFER 2960/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN DGAT2 2840/4885GSK3B 280/4885GFER 3123/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN DGAT2 2648/4885GSK3B 167/4885GFER 2960/4885

“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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