SCHEMBL1192187

SCHEMBL1192187

Clc1nc(N2CCOCC2)c2scnc2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.43
PIK3R1 P27986 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
AR P10275 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
MTOR P42345 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
ADK P55263 1/20 0.37
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
CHEK1 O14757 1/20 0.35
PDPK1 O15530 1/20 0.35
PAK1 Q13153 1/20 0.35

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
SCHEMBL2611079 0.82 PIK3CA (0.43) PIK3CAPIK3R1KDM4EGAAMTOR
SCHEMBL8061257 0.77 SMN1; SMN2 (0.42) PIK3CAPIK3R1SMN1; SMN2KDM4EMTOR
SCHEMBL1192579 0.77 MAPK1 (0.51) PIK3CAKDM4EGAAADKMAPK1
SCHEMBL1191922 0.77 SMN1; SMN2 (0.42) PIK3CAPIK3R1SMN1; SMN2ARKDM4E
SCHEMBL1309975 0.76 PIK3CA (0.49) PIK3CAPIK3R1SMN1; SMN2MTOR
SCHEMBL1311683 0.75 PIK3CA (0.66) PIK3CAPIK3R1MTOR
SCHEMBL1192450 0.75 ALOX15 (0.51) PIK3CAPIK3R1SMN1; SMN2ARKDM4E
SCHEMBL189594 0.73 PIK3CA (0.72) PIK3CAPIK3R1SMN1; SMN2KDM4EMTOR
SCHEMBL1194347 0.73 SMN1; SMN2 (0.42) PIK3CAPIK3R1SMN1; SMN2KDM4EPOLB
SCHEMBL1192419 0.73 SMN1; SMN2 (0.39) PIK3CAPIK3R1SMN1; SMN2ARKDM4E

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 39 patents — showing the first 20. 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-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-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-8394796-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2013-03-12 US disclosed
EP-2207781-B1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-11-28 EP disclosed
EP-2207781-B1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-11-28 EP disclosed
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-07-12 US disclosed
US-8173650-B2 Bicyclic pyrimidine PI3K inhibitor compounds selective for P110 delta, and methods of use GENENTECH, INC. (US) 2012-05-08 US disclosed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
US-8168633-B2 Thiazolopyrimidines and their use as inhibitors of phosphatidylinositol-3 kinase GENENTECH, INC. (US) 2012-05-01 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
US-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-07-29 US disclosed
EP-2207781-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-07-21 EP disclosed
WO-2010052569-A2 TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES UNIVERSITY OF BASEL (CH) 2010-05-14 WO disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
WO-2009042607-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-04-02 WO disclosed
WO-2009042607-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-04-02 WO disclosed
WO-2008152390-A1 THIAZOLIOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE F.HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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 (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-20100190769-A1 THIAZOLOPYRIMIDINES AND THEIR USE AS INHIBITORS OF PHOSPHATIDYLINOSITOL-3 KINASE PDPK1, PIK3CA, PI4KA PIK3CA 2/4885PIK3R1 19/4885SMN1; SMN2 3181/4885
US-20120178736-A1 BICYCLIC PYRIMIDINE PI3K INHIBITOR COMPOUNDS SELECTIVE FOR P110 DELTA, AND METHODS OF USE PIK3CA, PIK3R2, PIK3CD PIK3CA 1/4885PIK3R1 7/4885SMN1; SMN2 2134/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA PIK3CA 1/4885PIK3R1 88/4885SMN1; SMN2 2590/4885

“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.