SCHEMBL10653229

SCHEMBL10653229

CCOC(=O)C(C(=O)OCC)c1nc2ccccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 4/20 0.58
GAA P10253 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 4/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
ALOX5 P09917 1/20 0.51
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 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
SCHEMBL27739386 0.86 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL14932283 0.85 RAB9A (0.52) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL10730199 0.80 RAB9A (0.47) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL16218259 0.79 ALOX5 (0.57) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL27718331 0.78 HPGD (0.52) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL10730213 0.78 MAPK1 (0.51) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL14155832 0.77 POLB (0.60) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL27443616 0.77 ALOX5 (0.53) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL211598 0.77 ALDH1A1 (0.69) RAB9ASMN1; SMN2NPC1GAAMEN1
SCHEMBL3401066 0.76 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773207-B1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-03-07 EP disclosed
EP-2773207-B1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-03-07 EP disclosed
US-9221809-B2 Aminopyrimidinones as interleukin receptor-associated kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-9221809-B2 Aminopyrimidinones as interleukin receptor-associated kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-9221809-B2 Aminopyrimidinones as interleukin receptor-associated kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-29 US disclosed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
EP-2773207-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-09-10 EP disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
WO-2013066729-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-05-10 WO disclosed
EP-0101897-B1 HETEROCYCLIC COMPOUNDS BAYER AG (DE) 1988-06-15 EP disclosed
EP-0101897-A1 Heterocyclic compounds BAYER AG (DE) 1984-03-07 EP 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-20140329799-A1 AMINOPYRIMIDINONES AS INTERLEUKIN RECEPTOR-ASSOCIATED KINASE INHIBITORS IRAK4, IRAK1, IRAK2 RAB9A 1966/4885SMN1; SMN2 4280/4885NPC1 4464/4885

“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.