SCHEMBL359999

SCHEMBL359999

O=C(Nc1ccc2c(c1)OCO2)c1csc2cnc(Cl)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.54
RAB9A P51151 15/20 0.54
SMN1; SMN2 Q16637 12/20 0.54
MAPT P10636 7/20 0.53
TDP1 Q9NUW8 1/20 0.52
SYK P43405 1/20 0.52
TP53 P04637 8/20 0.51
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PKM P14618 3/20 0.47
AHR P35869 1/20 0.46

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
SCHEMBL19265942 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL15093623 0.81 SYK (0.58) NPC1RAB9ASMN1; SMN2MAPTTDP1
SCHEMBL15093593 0.79 SYK (0.61) NPC1RAB9ASMN1; SMN2MAPTSYK
SCHEMBL358884 0.78 SYK (0.65) SYK
SCHEMBL359886 0.78 SYK (0.65) SYK
SCHEMBL358514 0.78 SYK (0.55) NPC1RAB9ASMN1; SMN2MAPTSYK
SCHEMBL358257 0.77 IRAK4 (0.70) NPC1RAB9AMAPTSYKMEN1
SCHEMBL16153748 0.76 SYK (0.77) SYK
SCHEMBL359365 0.76 MAPT (0.43) NPC1RAB9ASMN1; SMN2MAPTSYK
SCHEMBL31182033 0.74 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US disclosed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3252054-A1 PYRAZOLO[1,5A]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-12-06 EP disclosed
EP-2593457-B1 PYRAZOLO[1,5A]PYRIMIDINE AND THIENO[3,2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN LA ROCHE (CH) 2017-08-23 EP disclosed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US disclosed
US-9255110-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators ROCHE PALO ALTO LLC (US) 2016-02-09 US disclosed
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. (US) 2014-10-09 US disclosed
EP-2593457-A1 PYRAZOLO [1, 5A]PYRIMIDINE AND THIENO [3, 2B]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS ARORA NIDHI (US) 2012-01-19 US disclosed
WO-2012007375-A1 PYRAZOLO [1, 5A] PYRIMIDINE AND THIENO [3, 2B] PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO 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 (5 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-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 NPC1 2973/4885RAB9A 3702/4885SMN1; SMN2 1363/4885
US-20140303149-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 NPC1 2973/4885RAB9A 3702/4885SMN1; SMN2 1363/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 NPC1 2973/4885RAB9A 3702/4885SMN1; SMN2 1363/4885
US-20120015962-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 NPC1 2973/4885RAB9A 3702/4885SMN1; SMN2 1363/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 NPC1 2973/4885RAB9A 3702/4885SMN1; SMN2 1363/4885

“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.