SCHEMBL15877657

SCHEMBL15877657

COc1ccc(CN[N+]23C=CN=CC2=C([C@H]2CC[C@@H](CO)NC2)N=C3c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.37
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
KDR P35968 1/20 0.33
CLK2 P49760 1/20 0.33
IRAK1 P51617 1/20 0.33
NEK4 P51957 1/20 0.33
MAP4K2 Q12851 1/20 0.33
HIPK4 Q8NE63 1/20 0.33
SRPK1 Q96SB4 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
MAP3K20 Q9NYL2 1/20 0.33
STK17A Q9UEE5 1/20 0.33
MAP4K5 Q9Y4K4 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL15878807 0.94 BTK (0.33) BTKKDRCLK2IRAK1NEK4
SCHEMBL15903372 0.88 BTK (0.37) BTK
SCHEMBL15877499 0.85 BTK (0.47) BTK
SCHEMBL15878595 0.85 BTK (0.47) BTK
SCHEMBL15902805 0.84 BTK (0.36) BTK
SCHEMBL15878874 0.81 BTK (0.45) BTK
SCHEMBL15878328 0.79 BTK (0.50) BTK
SCHEMBL15878955 0.77 BTK (0.50) BTK
SCHEMBL15877670 0.74 BTK (0.34) BTK
SCHEMBL15877654 0.74 BTK (0.55) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 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 (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-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN BTK 1/4885GSK3A 132/4885GSK3B 90/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN BTK 1/4885GSK3A 132/4885GSK3B 90/4885

“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.