SCHEMBL14224931

SCHEMBL14224931

O=C(Nc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.50
ATP4B P51164 2/20 0.50
CDC25A P30304 2/20 0.44
CDC25B P30305 1/20 0.44
CDC25C P30307 1/20 0.44
DUSP3 P51452 1/20 0.43
MAPT P10636 6/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
TP53 P04637 1/20 0.43
EIF4E P06730 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HIF1A Q16665 1/20 0.41

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
SCHEMBL14150274 0.89 JAK3 (0.51) ATP4AATP4BMAPTMAPK1MEN1
SCHEMBL14318313 0.88 JAK3 (0.51) ATP4AATP4BMAPTMAPK1MEN1
Hydrochloric Acid SCHEMBL14150343 0.88 JAK3 (0.51) ATP4AATP4BMAPTMAPK1MEN1
Milpecitinib SCHEMBL14224928 0.87 ATP4A (0.52) ATP4AATP4BCDC25ACDC25BCDC25C
Milpecitinib SCHEMBL14150553 0.86 ATP4A (0.52) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14315463 0.84 ATP4A (0.52) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14224962 0.84 CDC25A (0.58) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14318199 0.84 MAPT (0.51) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL14224896 0.84 CDC25A (0.56) ATP4AATP4BCDC25ACDC25BCDC25C
SCHEMBL16404020 0.84 ATP4A (0.51) ATP4AATP4BCDC25ACDC25BCDC25C

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 4379/4885CDC25A 587/4885

“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.