SCHEMBL14224947

SCHEMBL14224947

O=C(c1cc(-c2csc(-c3cccc(Cl)c3)n2)c[nH]1)N1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
MAPK10 P53779 1/20 0.59
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
EIF4E P06730 2/20 0.48
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
CYP19A1 P11511 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.44
ABL1 P00519 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 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
SCHEMBL14224968 0.89 ATP4A (0.59) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL14224939 0.88 ATP4A (0.61) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL16404137 0.88 ATP4A (0.56) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL16404108 0.88 ATP4A (0.56) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL14315466 0.88 ATP4A (0.58) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL14224966 0.88 ATP4A (0.56) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL16404008 0.87 ATP4A (0.60) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL14224937 0.85 ATP4A (0.53) MAPK1ATP4AATP4BEIF4ERAB9A
SCHEMBL14315465 0.84 ATP4A (0.52) MAPK1MAPK10ATP4AATP4BEIF4E
SCHEMBL14224911 0.84 ATP4A (0.56) MAPK1ATP4AATP4BRAB9ANPC1

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 MAPK1 190/4885MAPK10 259/4885ATP4A 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.