SCHEMBL15613645

SCHEMBL15613645

Cc1ncc(COc2cc(F)cc(Oc3ccc(-c4nn(CCN5CCCC5)c(N)c4C#N)cc3)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.44
▸ SIGMAR1 Q99720 3/20 0.32
▸ LTA4H P09960 5/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ ESR1 P03372 2/20 0.30
▸ ESR2 Q92731 2/20 0.30
▸ SCN9A Q15858 1/20 0.30
▸ RPS6KB1 P23443 1/20 0.30
▸ AKT1 P31749 1/20 0.30
▸ AGER Q15109 1/20 0.30

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
SCHEMBL15613667 0.91 BTK (0.38) BTKADORA2AADORA1HRH3
SCHEMBL15613497 0.85 BTK (0.34) BTK
SCHEMBL15613769 0.84 KCNH2 (0.36) BTK
SCHEMBL15613665 0.83 SRC (0.49) BTK
SCHEMBL15613739 0.83 BTK (0.35) BTK
SCHEMBL15613592 0.82 BTK (0.35) BTKSCN9A
SCHEMBL15613670 0.78 SRC (0.49) BTK
SCHEMBL15613649 0.75 SRC (0.45) BTK
SCHEMBL15613694 0.74 BTK (0.47) BTK
SCHEMBL15613776 0.74 BTK (0.37) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 — — US disclosed
US-20150191473-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2015-07-09 — — US disclosed
WO-2013177668-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2013-12-05 — — 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 (1 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-20150191473-A1 PROTEIN KINASE INHIBITORS TEC, SRC, LCK BTK 10/4885SIGMAR1 4635/4885LTA4H 3858/4885

“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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