SCHEMBL2301737

SCHEMBL2301737

O=C(O)CC(Cc1nc2ccc(I)cc2[nH]1)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.74
PIN1 Q13526 5/20 0.45
KDM4E B2RXH2 1/20 0.42
MLKL Q8NB16 1/20 0.41
PDPK1 O15530 1/20 0.41
CHEK2 O96017 1/20 0.39
CHRM1 P11229 1/20 0.38
APEX1 P27695 1/20 0.37

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
SCHEMBL2301731 0.92 PRKCZ (0.62) PRKCZPIN1KDM4EPDPK1CHRM1
Hydrochloric Acid SCHEMBL656943 0.91 PRKCZ (0.61) PRKCZPIN1KDM4EPDPK1CHRM1
SCHEMBL2302326 0.90 PRKCZ (0.81) PRKCZPIN1KDM4ECHRM1APEX1
SCHEMBL2303027 0.88 PRKCZ (0.78) PRKCZPIN1KDM4EMLKLCHEK2
SCHEMBL2305249 0.88 PRKCZ (0.59) PRKCZPIN1KDM4ECHRM1
SCHEMBL10252791 0.88 PRKCZ (0.62) PRKCZPIN1KDM4E
SCHEMBL2303603 0.87 PRKCZ (0.77) PRKCZPIN1KDM4E
SCHEMBL2301110 0.87 PRKCZ (0.59) PRKCZPIN1KDM4EMLKL
SCHEMBL2304859 0.87 PRKCZ (0.59) PRKCZPIN1MLKL
Hydrochloric Acid SCHEMBL657252 0.87 PRKCZ (0.58) PRKCZPIN1KDM4ECHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 PRKCZ 26/4885PIN1 2181/4885KDM4E 1893/4885

“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.