SCHEMBL15613647

SCHEMBL15613647

CC(=O)n1nc(-c2ccc(Oc3cccc(OCc4ccccc4)c3)cc2)c2c(N)ncnc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 1.00
▸ PIK3CD O00329 1/20 0.60
▸ PIK3CA P42336 1/20 0.60
▸ PIK3CB P42338 1/20 0.60
▸ PIK3CG P48736 1/20 0.60
▸ PRKDC P78527 1/20 0.60
▸ NUDT14 O95848 2/20 0.56
▸ NUDT5 Q9UKK9 2/20 0.56
▸ SRC P12931 3/20 0.55
▸ ABL1 P00519 1/20 0.55
▸ LCK P06239 3/20 0.51
▸ EGFR P00533 2/20 0.51
▸ JAK3 P52333 2/20 0.51
▸ ITK Q08881 2/20 0.51
▸ FYN P06241 1/20 0.49
▸ MAP2K5 Q13163 1/20 0.49
▸ LYN P07948 1/20 0.48
▸ FGFR1 P11362 1/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ IGF1R P08069 1/20 0.48

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
SCHEMBL15613570 0.86 PIK3CD (0.81) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL17264218 0.83 BTK (0.71) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15613464 0.81 BTK (0.73) BTKNUDT14NUDT5SRCABL1
SCHEMBL15613546 0.80 BTK (0.79) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15613699 0.78 BTK (0.67) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15613539 0.77 BTK (0.75) BTKNUDT14NUDT5SRCABL1
SCHEMBL15613552 0.76 BTK (0.72) BTKNUDT14NUDT5SRCABL1
SCHEMBL15613597 0.76 BTK (0.69) BTKNUDT14NUDT5SRCABL1
SCHEMBL130425 0.75 PIK3CD (1.00) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL15613541 0.75 BTK (0.60) BTKPIK3CDPIK3CAPIK3CBPIK3CG

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 5 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-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
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 10/4885PIK3CD 357/4885PIK3CA 414/4885

“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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