SCHEMBL14630473

SCHEMBL14630473

FC1(c2ccnc(Cl)c2)COC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.35
▸ LOX P28300 1/20 0.35
▸ LOXL3 P58215 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ TRPA1 O75762 1/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ IDO1 P14902 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ MAPK13 O15264 1/20 0.30
▸ MAPK12 P53778 1/20 0.30
▸ MAPK11 Q15759 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL27138518 0.80 LOXL2 (0.36) LOXL2BACE1IDO1
SCHEMBL1159368 0.79 RECQL (0.39) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL20753998 0.76 MAPKAPK2 (0.39) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL30305363 0.76 MAPKAPK2 (0.39) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL31572530 0.73 PIK3CD (0.32) —
SCHEMBL15390105 0.73 RECQL (0.36) RECQLLOXLOXL3LOXL2TRPA1
SCHEMBL31543492 0.71 — —
SCHEMBL26685227 0.71 — —
SCHEMBL15390544 0.70 PDE2A (0.43) RECQLLOXLOXL3LOXL2
SCHEMBL16332135 0.69 PDE2A (0.41) RECQLLOXLOXL3LOXL2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 — — EP disclosed
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 — — EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 — — US 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
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 — — US disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 — — WO disclosed
WO-2014114185-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
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 — — EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 — — WO disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 — — WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 — — EP disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 — — EP 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 (4 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 RECQL 903/4885LOX 1080/4885LOXL3 2237/4885
US-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN RECQL 1884/4885LOX 1415/4885LOXL3 1739/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN RECQL 1884/4885LOX 1415/4885LOXL3 1739/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 RECQL 845/4885LOX 1353/4885LOXL3 2409/4885

“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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