SCHEMBL658330

SCHEMBL658330

COC(=O)C(C(=O)OC)C(CC(=O)c1ccc(I)cc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.72
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 4/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL7109702 0.90 KMT2A (0.66) PDPK1KMT2AL3MBTL1ATMMEN1
SCHEMBL10448370 0.90 KMT2A (0.66) PDPK1KMT2AL3MBTL1ATMMEN1
SCHEMBL659187 0.86 PDPK1 (0.74) PDPK1KMT2AL3MBTL1
SCHEMBL656820 0.84 PDPK1 (1.00) PDPK1KMT2AL3MBTL1ATMMEN1
SCHEMBL7111978 0.82 KMT2A (0.59) PDPK1KMT2AL3MBTL1ATMMEN1
SCHEMBL7108403 0.81 L3MBTL1 (0.68) KMT2AL3MBTL1MEN1NPC1POLB
SCHEMBL13239389 0.79 KMT2A (0.53) PDPK1KMT2AL3MBTL1MEN1
SCHEMBL25737214 0.78 PDPK1 (0.79) PDPK1KMT2A
SCHEMBL820802 0.77 KMT2A (0.64) PDPK1KMT2AL3MBTL1ATMMEN1
SCHEMBL7109210 0.77 KMT2A (0.67) PDPK1KMT2AL3MBTL1ATMMEN1

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 5 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 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

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 109/4885KMT2A 1777/4885L3MBTL1 3302/4885

“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.