SCHEMBL656354

SCHEMBL656354

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

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.63
ATM Q13315 1/20 0.55
PTPN1 P18031 2/20 0.53
GABBR2 O75899 1/20 0.53
GABBR1 Q9UBS5 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TPMT P51580 1/20 0.41

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
SCHEMBL16616451 0.88 ATM (0.68) ATMPTPN1GABBR2GABBR1L3MBTL1
SCHEMBL657052 0.86 CYP2C9 (0.56) PDPK1PTPN1GABBR2GABBR1L3MBTL1
SCHEMBL13386259 0.86 PDPK1 (0.61) PDPK1ATML3MBTL1MAPTKDM4E
SCHEMBL657081 0.84 ATM (0.55) ATMPTPN1GABBR2GABBR1L3MBTL1
SCHEMBL659329 0.84 PDPK1 (0.61) PDPK1ATMPTPN1GABBR2GABBR1
SCHEMBL10253431 0.84 ATM (0.59) ATMPTPN1GABBR2GABBR1L3MBTL1
SCHEMBL9066674 0.82 ATM (0.74) PDPK1ATMPTPN1GABBR2GABBR1
SCHEMBL658438 0.81 ATM (0.56) PDPK1ATMPTPN1GABBR2GABBR1
SCHEMBL657370 0.81 L3MBTL1 (0.60) ATMPTPN1GABBR2GABBR1L3MBTL1
SCHEMBL503819 0.80 GABBR2 (0.76) GABBR2GABBR1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2349999-B1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIV SAARLAND (DE) 2016-01-27 EP disclosed
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-8912186-B2 Allosteric protein kinase modulators UNIVERSITAET DES SAARLANDES (DE) 2014-12-16 US 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
US-20120046307-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2012-02-23 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 109/4885ATM 215/4885PTPN1 1145/4885

“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.