SCHEMBL2301110

SCHEMBL2301110

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.59
PIN1 Q13526 7/20 0.59
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MLKL Q8NB16 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL2301098 0.92 PRKCZ (0.52) PRKCZPIN1KDM4E
Hydrochloric Acid SCHEMBL657402 0.91 PRKCZ (0.51) PRKCZPIN1KDM4E
SCHEMBL2305249 0.88 PRKCZ (0.59) PRKCZPIN1KDM4E
SCHEMBL10252791 0.88 PRKCZ (0.62) PRKCZPIN1KDM4EEGLN1
SCHEMBL2303603 0.87 PRKCZ (0.77) PRKCZPIN1IDO1KDM4E
SCHEMBL2301737 0.87 PRKCZ (0.74) PRKCZPIN1KDM4EMLKL
SCHEMBL2304859 0.87 PRKCZ (0.59) PRKCZPIN1MLKL
Hydrochloric Acid SCHEMBL657252 0.87 PRKCZ (0.58) PRKCZPIN1KDM4E
SCHEMBL10286932 0.87 PRKCZ (0.60) PRKCZPIN1IDO1EGLN1
SCHEMBL2301988 0.85 PRKCZ (0.77) PRKCZPIN1IDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 PRKCZ 26/4885PIN1 2181/4885IDO1 3325/4885

“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.