SCHEMBL1521897

SCHEMBL1521897

CCOC(=O)c1cnc(N(C)OC)cc1NC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.38
ALOX15 P16050 2/20 0.38
DPP4 P27487 2/20 0.38
KDM4E B2RXH2 3/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL1521845 0.86 DPP4 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX15
SCHEMBL1521991 0.79 IRAK4 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1ADORA3
SCHEMBL29709761 0.79 IRAK4 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1ADORA3
SCHEMBL29709769 0.79 NPSR1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1ADORA3
SCHEMBL18341454 0.79 NPSR1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1ADORA3
SCHEMBL24855865 0.76 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1ADORA3
SCHEMBL1521493 0.75 AOC1 (0.31)
SCHEMBL16878927 0.69 IRAK4 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL15688990 0.68 IRAK4 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL16873155 0.68 IRAK4 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases FLYNN DANIEL L 2011-05-19 US disclosed
US-7897762-B2 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2011-03-01 US disclosed
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS, LLC (US) 2009-04-16 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 (2 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-20110118271-A1 Kinase Inhibitors Useful For The Treatment Of Proliferative Diseases BRAF, PRKDC, RAF1 NPC1 4287/4885RAB9A 1244/4885SMN1; SMN2 4182/4885
US-20090099190-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 NPC1 4287/4885RAB9A 1244/4885SMN1; SMN2 4182/4885

“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.