SCHEMBL2611080

SCHEMBL2611080

Cc1nc(N2CCOCC2)c2ncsc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.47
KDM4E B2RXH2 8/20 0.47
ALDH1A1 P00352 7/20 0.47
HPGD P15428 7/20 0.47
MAPK1 P28482 4/20 0.47
TSHR P16473 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 6/20 0.45
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
PI4KB Q9UBF8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
PIK3CA P42336 1/20 0.39
CRHR1 P34998 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL1191922 0.82 SMN1; SMN2 (0.42) KDM4EMAPK1LMNARAF1BRAF
SCHEMBL1192793 0.78 LMNA (0.51) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL2611079 0.77 PIK3CA (0.43) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL1192611 0.75 PIK3CA (0.66) PIK3CA
SCHEMBL13059941 0.73 MAPK1 (0.76) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL2673589 0.72 PIK3CD (0.58) PIK3CA
SCHEMBL11985483 0.71 PIK3CA (0.62) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL14071958 0.71 MAP2K7 (0.45) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL16494715 0.70 PIK3CA (0.45) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL20363483 0.68 KDM4E (0.46) KDM4EALDH1A1HPGDMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158626-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2012-04-17 US disclosed
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-05-12 US disclosed
US-7893059-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2011-02-22 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 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-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB HSD17B10 749/4885KDM4E 4126/4885ALDH1A1 1589/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA HSD17B10 1249/4885KDM4E 2963/4885ALDH1A1 1547/4885

“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.