SCHEMBL3691814

SCHEMBL3691814

Cc1cc(C)c2c(=O)[nH]ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ CHEK1 O14757 12/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ RPS6KA3 P51812 1/20 0.42
▸ MELK Q14680 1/20 0.42
▸ STK24 Q9Y6E0 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PARP1 P09874 2/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL13139330 0.85 CHEK1 (0.40) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL25151016 0.81 CHEK1 (0.46) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL31227194 0.81 CHEK1 (0.51) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL168637 0.74 JAK2 (0.61) KDM4ECHEK1JAK2RPS6KA3MELK
SCHEMBL4243560 0.72 CHEK1 (0.41) KDM4ECHEK1JAK2RPS6KA3MELK
SCHEMBL4884877 0.71 CYP1A2 (0.50) KDM4EHSD17B10
SCHEMBL4798726 0.71 CYP1A2 (0.40) KDM4ETSHRBLMGRIN2DGRIN3B
SCHEMBL22093860 0.71 JAK2 (0.44) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL13659491 0.71 CHEK1 (0.47) CHEK1JAK2RPS6KA3MELKSTK24
SCHEMBL6797681 0.71 PARP1 (0.53) KDM4ECHEK1RPS6KA3PARP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889682-B2 Inhibitors of bruton'S tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2014-11-18 — — US disclosed
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2013-02-21 — — US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 — — US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 — — US disclosed
US-7718374-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences ELITECH HOLDING B.V. (NL) 2010-05-18 — — US disclosed
US-7718374-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences ELITECH HOLDING B.V. (NL) 2010-05-18 — — US disclosed
US-7718374-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences ELITECH HOLDING B.V. (NL) 2010-05-18 — — US disclosed
US-20090087922-A1 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2009-04-02 — — US disclosed
US-20090087922-A1 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2009-04-02 — — US disclosed
US-20090087922-A1 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2009-04-02 — — US disclosed
EP-1670928-A4 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES INC (US) 2008-06-25 — — EP disclosed
US-7348146-B2 Single nucleotide polymorphism analysis of highly polymorphic target sequences EPOCH BIOSCIENCES, INC. (US) 2008-03-25 — — US disclosed
EP-1670928-A2 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES Epoch Biosciences, Inc. (US) 2006-06-21 — — EP disclosed
US-20050118623-A1 Single nucleotide polymorphism analysis of highly polymorphic target sequences EPOCH BIOSCIENCES, INC. (US) 2005-06-02 — — US disclosed
WO-2005035545-A2 SINGLE NUCLEOTIDE POLYMORPHISM ANALYSIS OF HIGHLY POLYMORPHIC TARGET SEQUENCES EPOCH BIOSCIENCES, INC. (US) 2005-04-21 — — 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-20050118623-A1 Single nucleotide polymorphism analysis of highly polymorphic target sequences TSG101, CD74, HLA-DRB1 KDM4E 4877/4885CHEK1 1655/4885JAK2 4492/4885
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN KDM4E 741/4885CHEK1 639/4885JAK2 10/4885
US-20130045965-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN KDM4E 1322/4885CHEK1 569/4885JAK2 35/4885

“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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