Sugi Predict

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SCHEMBL255643

SCHEMBL255643

COc1cnc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 2/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ LIPG Q9Y5X9 7/20 0.42
▸ LPL P06858 6/20 0.42
▸ SNCA P37840 1/20 0.41
▸ DGAT1 O75907 1/20 0.39
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ALPL P05186 1/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ CA1 P00915 1/20 0.34

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 0.87 LIPG (0.44) LIPGLPLDGAT1NPC1RAB9A
SCHEMBL2269953 0.86 LIPG (0.39) CLK4DYRK1ALIPGLPLSNCA
SCHEMBL13275186 0.83 LIPG (0.43) CLK4DYRK1ALIPGLPLSNCA
SCHEMBL12100245 0.83 LPL (0.50) CLK4LIPGLPLSNCADGAT1
SCHEMBL12516572 0.83 DGAT1 (0.57) LIPGLPLDGAT1PDGFRBPDGFRA
SCHEMBL13275056 0.83 LIPG (0.49) CLK4DYRK1ALIPGLPLDGAT1
SCHEMBL2222388 0.82 LIPG (0.38) CLK4DYRK1ALIPGLPLSNCA
SCHEMBL13274938 0.82 LIPG (0.38) CLK4DYRK1ALIPGLPLSNCA
SCHEMBL2222243 0.82 DGAT1 (0.41) LIPGLPLDGAT1MAPTPDGFRB
SCHEMBL13275214 0.82 LIPG (0.36) CLK4DYRK1ALIPGLPLSNCA

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 10 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-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 — — WO disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 — — WO 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 CLK4 1166/4885DYRK1A 327/4885LIPG 1808/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 CLK4 875/4885DYRK1A 291/4885LIPG 2454/4885

“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.