SCHEMBL16667690

SCHEMBL16667690

O=C(Cc1ccc(Cl)cc1)N=C(Nc1cc(F)cc(Cl)c1)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 4/20 0.52
CLK4 Q9HAZ1 4/20 0.52
MAP4K4 O95819 4/20 0.52
DYRK1A Q13627 2/20 0.52
SRPK1 Q96SB4 1/20 0.52
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
MAOB P27338 4/20 0.47
PRKX P51817 3/20 0.46
STK17A Q9UEE5 2/20 0.46
CAMK2D Q13557 1/20 0.46
PKN2 Q16513 1/20 0.46
ROCK1 Q13464 3/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
CDK8 P49336 2/20 0.45

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
SCHEMBL16667689 1.00 CLK2 (0.52) CLK2CLK4MAP4K4DYRK1ASRPK1
SCHEMBL9924150 0.71 LMNA (0.45) ALDH1A1MEN1KMT2ATHRBNPC1
SCHEMBL16675917 0.71 NPY5R (0.43) CLK4MAP4K4PDGFRBAURKBAURKA
SCHEMBL16675943 0.71 GRM4 (0.40) AURKANTRK1CYP1A2CYP2D6RPS6KB1
SCHEMBL16675911 0.70 NPC1 (0.39) MAP4K4ALDH1A1MEN1KMT2AGAA
SCHEMBL16682180 0.70 CYP2D6 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL18556887 0.69 CYP2D6 (0.48) AURKBAURKAROCK2CYP2D6RPS6KB1
SCHEMBL16675939 0.69 CDK2 (0.39) CLK2CLK4MAP4K4DYRK1ASRPK1
SCHEMBL28573658 0.68 MAOB (0.73) CLK2CLK4MAP4K4DYRK1ASRPK1
SCHEMBL13122036 0.67 INSR (0.67) CLK2CLK4MAP4K4DYRK1ASRPK1

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-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-04-30 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-20150119439-A1 SATURATED ACYL GUANIDINE FOR INHIBITION OF F1F0-ATPASE ATP5F1A, ATP5F1D, ATP5F1C CLK2 4179/4885CLK4 4343/4885MAP4K4 3151/4885

“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.