SCHEMBL2269953

SCHEMBL2269953

COCCOc1cnc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.39
LPL P06858 6/20 0.39
DGAT1 O75907 2/20 0.38
CHEK1 O14757 1/20 0.35
CHEK2 O96017 1/20 0.35
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IGF1R P08069 1/20 0.34
SNCA P37840 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
MET P08581 3/20 0.33
EGFR P00533 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
SCHEMBL255715 0.86 LIPG (0.44) LIPGLPLDGAT1IRAK4
SCHEMBL255643 0.86 CLK4 (0.44) LIPGLPLDGAT1DYRK1ACLK4
SCHEMBL13275186 0.83 LIPG (0.43) LIPGLPLDGAT1DYRK1ACLK4
SCHEMBL12516572 0.82 DGAT1 (0.57) LIPGLPLDGAT1
SCHEMBL431636 0.82 LIPG (0.46) LIPGLPLDGAT1
SCHEMBL2222391 0.81 LIPG (0.38) LIPGLPLDGAT1DYRK1ACLK4
SCHEMBL13275689 0.81 FFAR1 (0.40) LIPGLPLDGAT1IRAK4
Cyclopentane SCHEMBL28665515 0.79 LPL (0.43) LIPGLPL
SCHEMBL20745594 0.79 LPL (0.43) LIPGLPL
SCHEMBL13275056 0.78 LIPG (0.49) LIPGLPLDGAT1DYRK1ACLK4

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-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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 (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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 LIPG 1808/4885LPL 3505/4885DGAT1 3494/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 LIPG 2454/4885LPL 4145/4885DGAT1 3576/4885

“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.