SCHEMBL12517907

SCHEMBL12517907

CC(C)(C)OC(=O)Nc1cnc(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
AAK1 Q2M2I8 2/20 0.42
CYP17A1 P05093 2/20 0.41
NAMPT P43490 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
DGAT1 O75907 1/20 0.39
USP30 Q70CQ3 1/20 0.37
HIF1A Q16665 2/20 0.37
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
SYK P43405 1/20 0.36
PSMB8 P28062 1/20 0.36
MAP4K4 O95819 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL2269463 0.85 PDGFRB (0.46) PDGFRBKDRDGAT1HIF1A
SCHEMBL1300326 0.83 PRMT5 (0.47) PRMT5WDR77AAK1CYP17A1NAMPT
SCHEMBL29895473 0.83 PRMT5 (0.47) PRMT5WDR77AAK1CYP17A1NAMPT
SCHEMBL2222243 0.79 DGAT1 (0.41) PDGFRBKDRDGAT1HIF1A
SCHEMBL13449237 0.78 XPO1 (0.52) CYP17A1NAMPTSYKMAP4K4
SCHEMBL30489564 0.78 PRMT5 (0.44) PRMT5WDR77AAK1CYP17A1PDGFRB
SCHEMBL20315230 0.78 PRMT5 (0.44) PRMT5WDR77AAK1CYP17A1PDGFRB
SCHEMBL595545 0.77 SIRT2 (0.47) PRMT5WDR77AAK1
SCHEMBL22290397 0.77 HDAC3 (0.52) PRMT5WDR77AAK1
SCHEMBL22570942 0.77 CYP17A1 (0.48) PRMT5WDR77AAK1CYP17A1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PRMT5 621/4885WDR77 1049/4885AAK1 485/4885

“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.