SCHEMBL14224960

SCHEMBL14224960

CCN(CC)CC(=O)Nc1cc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 1/20 0.39
MAP3K7 O43318 1/20 0.39
TAB1 Q15750 1/20 0.39
EIF4E P06730 1/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
CNR1 P21554 1/20 0.36
SCN9A Q15858 2/20 0.36
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL17715194 0.90 ATP4A (0.45) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL16404017 0.90 ATP4A (0.45) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL14684782 0.89 ATP4A (0.46) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL14224910 0.88 ALDH1A1 (0.49) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL14318351 0.87 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL14224909 0.85 POLB (0.47) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL14224914 0.81 HPGD (0.50) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL14306167 0.80 ATP4A (0.54) ATP4AATP4BMEN1KMT2AALDH1A1
SCHEMBL14318346 0.79 RAD52 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16404015 0.79 ATP4A (0.48) ATP4AATP4BMEN1KMT2AALDH1A1

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-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 WO disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 US 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-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 ATP4A 4242/4885ATP4B 4379/4885MEN1 3781/4885

“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.