SCHEMBL17645940

SCHEMBL17645940

O=C1CC(c2nc3c(Cl)ccnc3[nH]2)CCN1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 1/20 0.36
▸ MAP3K12 Q12852 3/20 0.35
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ BTK Q06187 3/20 0.34
▸ OPRL1 P41146 4/20 0.33
▸ CCNT1 O60563 2/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CSNK2B P67870 1/20 0.32
▸ CSNK2A1 P68400 1/20 0.32
▸ BRAF P15056 2/20 0.31
▸ ALDH2 P05091 1/20 0.31
▸ INSR P06213 1/20 0.31
▸ ALK Q9UM73 1/20 0.31

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
SCHEMBL1917392 0.82 ADORA3 (0.39) DAOAURKAAURKBBRAF
SCHEMBL3949356 0.79 ADORA3 (0.39) DAO
SCHEMBL30633389 0.79 ADORA3 (0.39) DAO
SCHEMBL27035392 0.76 CDK9 (0.35) DAOOPRL1CCNT1CDK9
SCHEMBL17645903 0.72 BTK (0.50) BTKCCNT1CDK9
SCHEMBL29100896 0.70 DAO (0.56) DAOBTKCDK9AURKAAURKB
SCHEMBL24683422 0.66 PARP1 (0.41) CCNT1CDK9CDC7PIM1CSNK2B
SCHEMBL29845257 0.66 PARP1 (0.41) CCNT1CDK9CDC7PIM1CSNK2B
SCHEMBL1917418 0.64 BRD4 (0.44) —
SCHEMBL25045409 0.64 CHRNB2 (0.42) —

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 DAO 2813/4885MAP3K12 252/4885TLR8 1357/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN DAO 3088/4885MAP3K12 273/4885TLR8 1283/4885
US-20160096834-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN DAO 2813/4885MAP3K12 252/4885TLR8 1357/4885

“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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