SCHEMBL16670588

SCHEMBL16670588

C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(Nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3)n2)C1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.73
KCNH2 Q12809 4/20 0.62
NFKB1 P19838 2/20 0.51
NR2C2 P49116 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
TAB1 Q15750 2/20 0.51

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
SCHEMBL18044996 1.00 BTK (0.73) BTKKCNH2NFKB1NR2C2NFKB2
SCHEMBL21100827 0.89 BTK (0.57) BTKKCNH2NFKB1NR2C2NFKB2
SCHEMBL18044962 0.85 BTK (1.00) BTKKCNH2
SCHEMBL16670873 0.85 BTK (1.00) BTKKCNH2
SCHEMBL21100754 0.83 NFKB1 (0.71) BTKNFKB1NR2C2NFKB2RELA
SCHEMBL16676814 0.83 BTK (0.81) BTKKCNH2
SCHEMBL16671370 0.83 BTK (0.81) BTKKCNH2
SCHEMBL16671728 0.79 BTK (0.79) BTKKCNH2
SCHEMBL16670815 0.79 BTK (0.79) BTKKCNH2
SCHEMBL16676678 0.78 BTK (0.80) BTKKCNH2

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 10 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
EP-3060550-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2016-08-31 EP disclosed
WO-2015061247-A2 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-04-30 WO 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 1/4885KCNH2 2256/4885NFKB1 1405/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK BTK 1/4885KCNH2 2256/4885NFKB1 1405/4885

“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.