SCHEMBL2305249

SCHEMBL2305249

O=C(O)CC(Cc1nc2ccccc2[nH]1)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.59
PIN1 Q13526 4/20 0.55
CHRM1 P11229 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
Hydrochloric Acid SCHEMBL657252 0.99 PRKCZ (0.58) PRKCZPIN1CHRM1MEN1KMT2A
SCHEMBL10252791 0.91 PRKCZ (0.62) PRKCZPIN1MEN1KMT2ALMNA
SCHEMBL2301731 0.88 PRKCZ (0.62) PRKCZPIN1CHRM1KDM4E
SCHEMBL2303603 0.88 PRKCZ (0.77) PRKCZPIN1RAB9AKDM4E
SCHEMBL2304854 0.88 PRKCZ (0.52) PRKCZPIN1MEN1KMT2ALMNA
SCHEMBL2301110 0.88 PRKCZ (0.59) PRKCZPIN1KDM4E
SCHEMBL2301737 0.88 PRKCZ (0.74) PRKCZPIN1CHRM1KDM4E
SCHEMBL2304859 0.88 PRKCZ (0.59) PRKCZPIN1KMT2ASMN1; SMN2
SCHEMBL2303594 0.88 PRKCZ (0.64) PRKCZPIN1NPC1RAB9AKDM4E
SCHEMBL2301098 0.88 PRKCZ (0.52) PRKCZPIN1CHRM1KDM4E

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 9 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
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 2181/4885CHRM1 3185/4885

“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.