SCHEMBL17645797

SCHEMBL17645797

Cn1cc(-c2nc3c(-c4ccc(C5CCCN5C(=O)OC(C)(C)C)cc4)ccnc3[nH]2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.41
▸ BTK Q06187 11/20 0.41
▸ GPR119 Q8TDV5 1/20 0.41
▸ IRAK1 P51617 1/20 0.40
▸ WNT1 P04628 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ RET P07949 1/20 0.39
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL17670774 0.89 CCNK (0.41) BTKWNT1GSK3BDYRK1ACCNK
SCHEMBL17645639 0.86 BTK (0.46) BTKCCNKCDK12KCNH2
SCHEMBL17645808 0.77 BTK (0.48) BTKGPR119RETLRRK2KCNH2
SCHEMBL17660341 0.76 BTK (0.54) BTKGSK3BDYRK1ARET
SCHEMBL17645934 0.75 AURKA (0.41) BTKWNT1GSK3BDYRK1A
SCHEMBL24615246 0.73 RET (0.46) GPR119RET
SCHEMBL30669773 0.73 RET (0.46) GPR119RET
SCHEMBL21791274 0.73 BTK (0.49) BTKIRAK1KCNH2
SCHEMBL17660344 0.72 BTK (0.62) BTK
SCHEMBL30950542 0.72 BTK (0.62) 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 USP30 2476/4885BTK 1/4885GPR119 3458/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN USP30 2804/4885BTK 1/4885GPR119 3339/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN USP30 2476/4885BTK 1/4885GPR119 3458/4885

“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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