SCHEMBL16748845

SCHEMBL16748845

Cc1ncc(COc2cc(F)cc(Oc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.44
▸ BTK Q06187 2/20 0.42
▸ LPL P06858 7/20 0.39
▸ LIPG Q9Y5X9 7/20 0.39
▸ SNCA P37840 1/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ HIF1A Q16665 2/20 0.33
▸ F11 P03951 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
SCHEMBL16748876 0.83 DGAT1 (0.39) DGAT1LPLLIPGSNCACA1
SCHEMBL13860126 0.79 LPL (0.56) DGAT1LPLLIPGSNCACA1
SCHEMBL16748844 0.79 BTK (0.47) BTK
SCHEMBL16748886 0.76 L3MBTL1 (0.39) DGAT1BTKHIF1A
SCHEMBL28994206 0.75 NR4A2 (0.51) BTK
SCHEMBL30289685 0.75 NR4A2 (0.51) BTK
SCHEMBL30289606 0.74 PARP10 (0.52) BTK
SCHEMBL30289690 0.74 BTK (0.44) BTK
SCHEMBL28994247 0.74 BTK (0.44) BTK
SCHEMBL24932981 0.74 DGAT1 (0.54) DGAT1LPLLIPGSNCACA1

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-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family PHARMASCIENCE INC. (CA) 2018-06-28 — — US disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 — — US disclosed
US-9822120-B2 Protein kinase inhibitors PHARMASCIENCE INC. (CA) 2017-11-21 — — US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 — — US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 — — US disclosed
WO-2016187723-A1 INHIBITORS OF THE TEC KINASE ENZYME FAMILY PHARMASCIENCE INC. (CA) 2016-12-01 — — WO disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 — — US disclosed
US-20160280711-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2016-09-29 — — US disclosed
WO-2015077866-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-06-04 — — WO disclosed
WO-2015074138-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-05-28 — — 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 (3 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-20160280711-A1 Protein Kinase Inhibitors TEC, LCK, SRC DGAT1 3167/4885BTK 8/4885LPL 4292/4885
US-20170158697-A1 Protein Kinase Inhibitors TEC, LCK, SRC DGAT1 3318/4885BTK 6/4885LPL 4351/4885
US-20180179210-A1 Inhibitors of the TEC Kinase Enzyme Family TEC, BTK, LCK DGAT1 1411/4885BTK 2/4885LPL 3998/4885

“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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