SCHEMBL14224937

SCHEMBL14224937

COc1cccc(-c2nc(-c3c[nH]c(C(=O)N4CCCC4)c3)cs2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.53
ATP4B P51164 2/20 0.53
ALDH1A1 P00352 8/20 0.49
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 5/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EIF4E P06730 2/20 0.49
TP53 P04637 4/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP19A1 P11511 1/20 0.49
LMNA P02545 3/20 0.49

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
SCHEMBL16404168 0.90 ATP4A (0.51) ATP4AATP4BALDH1A1MAPTSMN1; SMN2
SCHEMBL14224940 0.89 ATP4A (0.56) ATP4AATP4BALDH1A1MAPTSMN1; SMN2
SCHEMBL14224966 0.87 ATP4A (0.56) ATP4AATP4BALDH1A1MAPK1NPC1
SCHEMBL14224939 0.86 ATP4A (0.61) ATP4AATP4BALDH1A1MAPTSMN1; SMN2
SCHEMBL16404137 0.85 ATP4A (0.56) ATP4AATP4BALDH1A1MAPTMAPK1
SCHEMBL16404108 0.85 ATP4A (0.56) ATP4AATP4BALDH1A1MAPTSMN1; SMN2
SCHEMBL14315466 0.85 ATP4A (0.58) ATP4AATP4BALDH1A1MAPTMAPK1
SCHEMBL14224947 0.85 MAPK1 (0.59) ATP4AATP4BMAPTSMN1; SMN2MAPK1
SCHEMBL16404008 0.84 ATP4A (0.60) ATP4AATP4BALDH1A1MAPTMAPK1
SCHEMBL16404159 0.83 ATP4A (0.54) ATP4AATP4BALDH1A1SMN1; SMN2MAPK1

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 4379/4885ALDH1A1 4672/4885

“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.