SCHEMBL657608

SCHEMBL657608

O=C(CCc1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.68
CTNNB1 P35222 1/20 0.66
WNT3A P56704 1/20 0.66
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
MAPT P10636 6/20 0.62
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CDK4 P11802 3/20 0.60
CCND1 P24385 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57

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
Indolylpropionic Acid SCHEMBL29374161 0.85 MAPT (0.68) PDPK1KMT2AMEN1NPC1RAB9A
Indolylpropionic Acid SCHEMBL195405 0.85 MAPT (0.68) PDPK1KMT2AMEN1NPC1RAB9A
Indolylpropionic Acid SCHEMBL29521227 0.85 MAPT (0.68) PDPK1KMT2AMEN1NPC1RAB9A
SCHEMBL7676040 0.85 MAPT (0.64) PDPK1KMT2AMEN1NPC1RAB9A
SCHEMBL18973663 0.84 CDK4 (0.59) PDPK1KMT2AMEN1NPC1RAB9A
Indolylpropionic Acid SCHEMBL29272702 0.84 MAPT (0.66) PDPK1KMT2AMEN1NPC1RAB9A
Indolylpropionic Acid SCHEMBL2115660 0.84 MAPT (0.66) PDPK1KMT2AMEN1NPC1RAB9A
SCHEMBL3804289 0.84 MEN1 (0.72) PDPK1CTNNB1WNT3AKMT2AMEN1
SCHEMBL7270097 0.83 KMT2A (0.71) PDPK1KMT2AMEN1NPC1RAB9A
SCHEMBL17451353 0.82 PDPK1 (0.62) PDPK1KMT2AMEN1NPC1RAB9A

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 6 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
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 PDPK1 109/4885CTNNB1 2261/4885WNT3A 1800/4885

“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.