SCHEMBL17645780

SCHEMBL17645780

COc1ccc(-c2nc3c(-c4ccc(CN)c(F)c4)ccnc3[nH]2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.42
▸ CBFB Q13951 1/20 0.38
▸ MGAT2 Q10469 1/20 0.35
▸ CDK5 Q00535 3/20 0.35
▸ CDK5R1 Q15078 3/20 0.35
▸ CCNB2 O95067 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ GSK3A P49840 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CCNB3 Q8WWL7 2/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL24061700 0.90 BTK (0.45) BTKCBFBRPS6KA3MAPK14NPC1
SCHEMBL17646003 0.89 MAPK14 (0.42) BTKCDK5CDK5R1CCNB2CDK1
SCHEMBL17645984 0.89 MAPK14 (0.42) BTKCDK5CDK5R1CCNB2CDK1
SCHEMBL17660360 0.89 BTK (0.47) BTKCBFBMGAT2CDK5CDK5R1
SCHEMBL17645714 0.85 BTK (0.47) BTKCCNB2CDK1CCNB1GSK3A
SCHEMBL17646013 0.84 MGAT2 (0.47) BTKMGAT2CDK5CDK5R1CCNB2
SCHEMBL17646039 0.84 MGAT2 (0.47) BTKMGAT2CDK5CDK5R1CCNB2
SCHEMBL17645759 0.81 BTK (0.50) BTKCDK5CDK5R1CCNB2CDK1
SCHEMBL17660361 0.81 BTK (0.38) BTKALOX5APFEN1
SCHEMBL17660347 0.80 BTK (0.43) BTKCDK5CDK5R1CCNB2CDK1

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 9 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
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-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
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 1/4885CBFB 1980/4885MGAT2 3278/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885CBFB 1864/4885MGAT2 3103/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN BTK 1/4885CBFB 1980/4885MGAT2 3278/4885

“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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