SCHEMBL14617840

SCHEMBL14617840

COC(=O)/C=C/CNC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
BTK Q06187 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
EGFR P00533 2/20 0.32
TTR P02766 1/20 0.32
APP P05067 1/20 0.32
POLB P06746 2/20 0.31
RAB9A P51151 1/20 0.31
GFPT1 Q06210 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TYR P14679 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL14693492 0.93 HCAR2 (0.41) HCAR2KEAP1NFE2L2HTR2AHTR2C
SCHEMBL14693491 0.93 HCAR2 (0.41) HCAR2KEAP1NFE2L2HTR2AHTR2C
SCHEMBL30037818 0.92 HCAR2 (0.38) HCAR2KEAP1NFE2L2BTK
SCHEMBL20261888 0.91 NPSR1 (0.42) HCAR2KEAP1NFE2L2RAB9ANPSR1
SCHEMBL10181124 0.91 NPSR1 (0.42) HCAR2KEAP1NFE2L2RAB9ANPSR1
SCHEMBL30154128 0.85 HCAR2 (0.35) HCAR2KEAP1NFE2L2BTKEGFR
SCHEMBL30153974 0.84 EPHX2 (0.42) HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL20415397 0.84 MAPT (0.45) HCAR2TTRPOLBCA12CA1
SCHEMBL15156525 0.82 HCAR2 (0.35) HCAR2KEAP1NFE2L2EGFR
SCHEMBL15156527 0.82 HCAR2 (0.35) HCAR2KEAP1NFE2L2EGFR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862722-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2018-01-09 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2015-11-19 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-9138436-B2 Inhibitors of Bruton's tyrosine kinase PHARMACYCLICS LLC (US) 2015-09-22 US disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 US disclosed
WO-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 WO disclosed
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 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-20150329550-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 HCAR2 4580/4885KEAP1 3166/4885NFE2L2 4376/4885
US-20130018032-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 HCAR2 4580/4885KEAP1 3166/4885NFE2L2 4376/4885

“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.