SCHEMBL14224897

SCHEMBL14224897

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.65
MAPT P10636 5/20 0.65
HTT P42858 4/20 0.65
KDM4E B2RXH2 4/20 0.65
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 4/20 0.48
ATP4A P20648 2/20 0.47
ATP4B P51164 2/20 0.47
GFER P55789 1/20 0.43
CDC25A P30304 3/20 0.43
CDC25B P30305 2/20 0.43
CDC25C P30307 2/20 0.43
DUSP3 P51452 2/20 0.42

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
SCHEMBL14318199 0.89 MAPT (0.51) SMN1; SMN2MAPTHTTKDM4EALDH1A1
SCHEMBL14315463 0.89 ATP4A (0.52) SMN1; SMN2MAPTHTTKDM4EALDH1A1
SCHEMBL14224930 0.88 MAPT (0.51) SMN1; SMN2MAPTHTTKDM4EALDH1A1
SCHEMBL16404020 0.88 ATP4A (0.51) SMN1; SMN2MAPTHTTKDM4EALDH1A1
Milpecitinib SCHEMBL14224928 0.88 ATP4A (0.52) SMN1; SMN2MAPTHTTKDM4EALDH1A1
SCHEMBL14224927 0.87 JAK3 (0.51) SMN1; SMN2MAPTHTTKDM4EALDH1A1
Milpecitinib SCHEMBL14150553 0.87 ATP4A (0.52) SMN1; SMN2MAPTHTTKDM4EALDH1A1
SCHEMBL14224901 0.86 MAPT (0.49) SMN1; SMN2MAPTHTTKDM4EALDH1A1
SCHEMBL14150274 0.85 JAK3 (0.51) SMN1; SMN2MAPTHTTKDM4EALDH1A1
SCHEMBL14318313 0.84 JAK3 (0.51) SMN1; SMN2MAPTHTTKDM4EALDH1A1

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 SMN1; SMN2 3668/4885MAPT 2739/4885HTT 3892/4885

“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.