SCHEMBL1192980

SCHEMBL1192980

CS(=O)(=O)Nc1cccc(-c2nc3c(N4CCOCC4)nc(Cl)nc3s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.54
CYP3A4 P08684 6/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
MAPK1 P28482 3/20 0.52
CLK4 Q9HAZ1 3/20 0.52
USP2 O75604 2/20 0.52
HIF1A Q16665 2/20 0.52
MTOR P42345 6/20 0.51
PIK3CA P42336 4/20 0.51
PIK3CG P48736 2/20 0.51
PTK2 Q05397 1/20 0.47
CYP2D6 P10635 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIK3R1 P27986 1/20 0.41
TP53 P04637 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL1192582 0.89 MTOR (0.48) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL1192052 0.86 PIK3CA (0.49) LMNATSHRMAPK1USP2HIF1A
SCHEMBL1192386 0.85 MTOR (0.51) MTORPIK3CAMEN1KMT2AALDH1A1
SCHEMBL1192192 0.85 IKBKB (0.51) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL1192230 0.84 PIK3CA (0.57) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL4441453 0.81 PTK2 (0.58) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL1192071 0.80 PIK3CA (0.50) LMNATSHRMAPK1USP2MTOR
SCHEMBL4440935 0.80 CYP1A2 (0.56) CYP1A2CYP3A4LMNATSHRRECQL
SCHEMBL1191980 0.80 HSD17B10 (0.45) LMNATSHRMAPK1USP2PIK3CA
SCHEMBL1883315 0.76 PIK3CA (0.40) MAPK1MTORPIK3CAPIK3CGPIK3CD

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 CYP1A2 1296/4885CYP3A4 756/4885LMNA 2421/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA CYP1A2 1432/4885CYP3A4 979/4885LMNA 998/4885

“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.