SCHEMBL656296

SCHEMBL656296

O=C(O)/C=C(/c1ccccc1)c1scc2cc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.42
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
BCKDK O14874 1/20 0.35
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAOB P27338 2/20 0.33
KCNMA1 Q12791 1/20 0.33
CCR2 P41597 1/20 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
SCHEMBL656299 1.00 PDPK1 (0.42) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL656298 1.00 PDPK1 (0.42) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL2305179 0.84 MAPT (0.39) PDPK1NPC1RAB9AKMT2AMCL1
SCHEMBL2305171 0.84 MAPT (0.39) PDPK1NPC1RAB9AKMT2AMCL1
SCHEMBL11089727 0.77 MCL1 (0.51) MEN1NPC1RAB9AKMT2ABCKDK
SCHEMBL658543 0.74 PDPK1 (0.40) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL658917 0.74 PDPK1 (0.40) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL658542 0.74 PDPK1 (0.40) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL10286931 0.72 DYRK1A (0.48) PDPK1MEN1NPC1RAB9AKMT2A
SCHEMBL656300 0.72 DYRK1A (0.48) PDPK1MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP claimed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US claimed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP claimed
EP-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
US-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US disclosed
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 US disclosed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed
EP-2177510-A1 Allosteric protein kinase modulators Universität des Saarlandes (DE) 2010-04-21 EP 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-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS AURKC, AURKA, AURKB PDPK1 109/4885MEN1 2058/4885NPC1 2687/4885

“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.