SCHEMBL14224914

SCHEMBL14224914

CCOc1ccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPT P10636 3/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL14306167 0.86 ATP4A (0.54) HPGDATP4AATP4BKDM4EALDH1A1
SCHEMBL14224938 0.86 CDC25A (0.53) HPGDL3MBTL1ATP4AATP4BKDM4E
SCHEMBL16404168 0.84 ATP4A (0.51) ATP4AATP4BALDH1A1PDE4APDE4B
SCHEMBL14306165 0.83 ATP4A (0.49) ATP4AATP4BALDH1A1MAPTGAA
SCHEMBL14224940 0.83 ATP4A (0.56) HPGDATP4AATP4BKDM4EALDH1A1
SCHEMBL14684782 0.82 ATP4A (0.46) HPGDATP4AATP4BALDH1A1SMN1; SMN2
SCHEMBL16404136 0.82 ATP4A (0.57) HPGDATP4AATP4BALDH1A1MAPT
SCHEMBL16404159 0.82 ATP4A (0.54) HPGDATP4AATP4BALDH1A1SMN1; SMN2
SCHEMBL14224960 0.81 ATP4A (0.44) HPGDATP4AATP4BKDM4EALDH1A1
SCHEMBL14224910 0.81 ALDH1A1 (0.49) HPGDL3MBTL1ATP4AATP4BKDM4E

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 HPGD 3407/4885L3MBTL1 2629/4885ATP4A 4242/4885

“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.