SCHEMBL10201680

SCHEMBL10201680

Cn1nc(B2OC(C)(C)C(C)(C)O2)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
RAB9A P51151 1/20 0.51
BTK Q06187 13/20 0.49
CLK2 P49760 1/20 0.47
SRC P12931 1/20 0.46
TYK2 P29597 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42

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
SCHEMBL12650334 0.84 KDM4E (0.59) KDM4ERAB9ABTKCLK2SRC
SCHEMBL29741954 0.84 BTK (0.54) KDM4ERAB9ABTKCLK2SRC
SCHEMBL700756 0.84 BTK (0.54) KDM4ERAB9ABTKCLK2SRC
SCHEMBL609572 0.83 KDM4E (0.56) KDM4ERAB9ABTKCLK2SRC
SCHEMBL29925224 0.83 KDM4E (0.56) KDM4ERAB9ABTKCLK2SRC
SCHEMBL14926081 0.81 KDM4E (0.54) KDM4ERAB9ABTKCLK2SRC
SCHEMBL16415926 0.81 KDM4E (0.57) KDM4ERAB9ABTKCLK2SRC
SCHEMBL10256147 0.77 BTK (0.43) BTKCCNT1CDK9
SCHEMBL1727627 0.76 BTK (0.47) KDM4ERAB9ABTKCLK2TYK2
SCHEMBL709078 0.76 BTK (0.59) KDM4ERAB9ABTKCLK2SRC

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-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN KDM4E 330/4885RAB9A 3106/4885BTK 1/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN KDM4E 330/4885RAB9A 3106/4885BTK 1/4885

“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.