SCHEMBL2611079

SCHEMBL2611079

Cc1nc(N2CCOCC2)c2scnc2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.43
PIK3R1 P27986 2/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 2/20 0.39
CRHR1 P34998 2/20 0.39
NPY5R Q15761 1/20 0.39
GAA P10253 1/20 0.39
MTOR P42345 1/20 0.38
POLB P06746 1/20 0.38
MAP2K7 O14733 1/20 0.38

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
SCHEMBL1192187 0.82 PIK3CA (0.43) PIK3CAPIK3R1KDM4EMAPK1GAA
SCHEMBL1192579 0.77 MAPK1 (0.51) PIK3CAKDM4EMAPK1LMNAALDH1A1
SCHEMBL2611080 0.77 HSD17B10 (0.47) PIK3CAKDM4EMAPK1LMNAALDH1A1
SCHEMBL1309975 0.76 PIK3CA (0.49) PIK3CAPIK3R1LMNAALDH1A1MTOR
SCHEMBL1311683 0.75 PIK3CA (0.66) PIK3CAPIK3R1MTOR
SCHEMBL13855315 0.73 MAPK1 (0.41) PIK3CAPIK3R1KDM4EMAPK1LMNA
SCHEMBL12110480 0.73 PIK3CA (0.72) PIK3CAPIK3R1KDM4EMAPK1LMNA
SCHEMBL11985483 0.73 PIK3CA (0.62) PIK3CAPIK3R1KDM4EMAPK1LMNA
SCHEMBL1311251 0.73 PIK3CA (0.49) PIK3CAPIK3R1MTOR
SCHEMBL1309648 0.73 PIK3CD (0.48) PIK3CAPIK3R1MTOR

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
US-8921361-B2 Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes UNIVERSITY OF BASEL (CH) 2014-12-30 US disclosed
US-8158626-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2012-04-17 US disclosed
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2011-11-10 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 (3 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 PIK3CA 1/4885PIK3R1 18/4885KDM4E 4126/4885
US-20110275762-A1 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES MTOR, PIK3CA, PIK3CD PIK3CA 2/4885PIK3R1 21/4885KDM4E 3825/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA PIK3CA 1/4885PIK3R1 88/4885KDM4E 2963/4885

“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.