SCHEMBL14224921

SCHEMBL14224921

O=C(c1cc(-c2csc(-c3cnccn3)n2)c[nH]1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.57
ATP4B P51164 2/20 0.57
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPK10 P53779 1/20 0.39
SCN9A Q15858 1/20 0.39
EIF4E P06730 1/20 0.39

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
SCHEMBL14224967 0.85 ATP4A (0.57) ATP4AATP4BCDK5CDK5R1ALDH1A1
SCHEMBL14224911 0.84 ATP4A (0.56) ATP4AATP4BALDH1A1NPC1RAB9A
SCHEMBL14224939 0.81 ATP4A (0.61) ATP4AATP4BCDK5CDK5R1ALDH1A1
SCHEMBL14224920 0.80 ATP4A (0.60) ATP4AATP4BCDK5CDK5R1ALDH1A1
SCHEMBL16404003 0.79 ATP4A (0.61) ATP4AATP4BCDK5CDK5R1ALDH1A1
SCHEMBL14224968 0.79 ATP4A (0.59) ATP4AATP4BALDH1A1NPC1PKM
SCHEMBL16404005 0.79 ATP4A (0.59) ATP4AATP4BCDK5CDK5R1ALDH1A1
SCHEMBL14317621 0.79 ATP4A (0.59) ATP4AATP4BCDK5CDK5R1ALDH1A1
SCHEMBL14224923 0.79 ATP4A (0.59) ATP4AATP4BCDK5CDK5R1ALDH1A1
SCHEMBL14318291 0.79 ATP4A (0.67) ATP4AATP4BALDH1A1NPC1PKM

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 4379/4885HDAC1 1310/4885

“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.