SCHEMBL16676697

SCHEMBL16676697

CN(C)C/C=C/C(=O)N[C@H]1CCN(c2ncc(C(N)=O)c(N)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.69
▸ CCNK O75909 7/20 0.39
▸ CDK12 Q9NYV4 7/20 0.39
▸ CCNA2 P20248 4/20 0.38
▸ CDK2 P24941 4/20 0.38
▸ CDK7 P50613 4/20 0.38
▸ CCNH P51946 4/20 0.38
▸ MNAT1 P51948 4/20 0.38
▸ KCNH2 Q12809 3/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ ITK Q08881 1/20 0.38
▸ CAMK1D Q8IU85 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
SCHEMBL18044974 1.00 BTK (0.69) BTKCCNKCDK12CCNA2CDK2
SCHEMBL18044973 1.00 BTK (0.69) BTKCCNKCDK12CCNA2CDK2
SCHEMBL16676765 1.00 BTK (0.69) BTKCCNKCDK12CCNA2CDK2
SCHEMBL18045019 1.00 BTK (0.69) BTKCCNKCDK12CCNA2CDK2
SCHEMBL16671476 0.93 BTK (0.59) BTKCCNKCDK12CCNA2CDK2
SCHEMBL16670391 0.82 BTK (1.00) BTKKCNH2
SCHEMBL16671205 0.82 BTK (1.00) BTKKCNH2
SCHEMBL16671266 0.82 BTK (1.00) BTKKCNH2
SCHEMBL18044993 0.77 CCNK (0.40) BTKCCNKCDK12CCNA2CDK2
SCHEMBL18044994 0.77 CCNK (0.40) BTKCCNKCDK12CCNA2CDK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 — — US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 — — US disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 — — EP disclosed
EP-3060550-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-05-15 — — EP disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 — — US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 — — US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 — — US disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 — — WO 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 (2 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-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK BTK 1/4885CCNK 1003/4885CDK12 410/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885CCNK 1003/4885CDK12 410/4885

“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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