SCHEMBL1192776

SCHEMBL1192776

Clc1nc(N2CCOCC2)c2nc(-c3ccc(N4CCOCC4)nc3)sc2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.49
ADK P55263 2/20 0.42
KCNH2 Q12809 1/20 0.40
ADORA2A P29274 1/20 0.40
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
FAAH O00519 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
SCHEMBL1192572 0.88 ADK (0.41) CNR2ADKADORA2A
SCHEMBL1192992 0.88 PIK3CA (0.53) ADORA2A
SCHEMBL1192065 0.83 PIK3CA (0.57)
SCHEMBL1191980 0.82 HSD17B10 (0.45) KCNH2ADORA2A
SCHEMBL25394363 0.79 PDE10A (0.42)
SCHEMBL1192071 0.77 PIK3CA (0.50)
SCHEMBL1192582 0.76 MTOR (0.48) KCNH2ADORA2A
SCHEMBL5103147 0.76 PIK3CA (0.53) CNR2KCNH2
SCHEMBL8058856 0.75 ADORA2A (0.45) ADORA2A
SCHEMBL1192276 0.73 PIK3CA (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2207781-B1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2012-11-28 EP disclosed
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
EP-2207781-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2010-07-21 EP 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

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 CNR2 4486/4885ADK 534/4885KCNH2 4327/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA CNR2 4786/4885ADK 306/4885KCNH2 3695/4885

“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.