SCHEMBL14904009

SCHEMBL14904009

OCc1cc2cc(O)cnc2cc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.42
CDK8 P49336 1/20 0.42
CLK2 P49760 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CDK5 Q00535 1/20 0.42
ACVR1 Q04771 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ESR2 Q92731 2/20 0.35
CBFB Q13951 1/20 0.34
PDGFRB P09619 4/20 0.33
PDGFRA P16234 4/20 0.33

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
SCHEMBL14903997 0.78 DYRK1A (0.36) DYRK1APDE4APDE4BPDE4CPDE4D
SCHEMBL14903958 0.71 PDGFRB (0.51) CDK8ESR2PDGFRBPDGFRAEGFR
SCHEMBL28203717 0.68 ESR2 (0.66) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL1401408 0.67 PDGFRB (0.66) PDGFRBPDGFRA
SCHEMBL14423927 0.66 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DCBFB
SCHEMBL28214579 0.65 MAP4K4 (0.40) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL164336 0.64 DYRK1A (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL21988901 0.64 MAP4K4 (0.54) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL4534377 0.64 CYP1A2 (0.50) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL2224981 0.64 MAP4K4 (0.54) MAP4K4CDK8CLK2CDK7CDK9

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 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 (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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 MAP4K4 3221/4885CDK8 4333/4885CLK2 4495/4885

“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.