SCHEMBL3605576

SCHEMBL3605576

COc1cc(-c2nc(CS(C)(=O)=O)cc(N3CCOC[C@@H]3C)n2)ccc1NC(=O)N(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.63
MTOR P42345 10/20 0.63
PIK3CD O00329 6/20 0.63
CHEK1 O14757 6/20 0.47
ATR Q13535 6/20 0.47
PDCD1 Q15116 6/20 0.47
ATRIP Q8WXE1 6/20 0.47
CD274 Q9NZQ7 6/20 0.47

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
SCHEMBL3598719 0.91 PIK3CA (0.63) PIK3CAMTORPIK3CDCHEK1ATR
SCHEMBL3605339 0.90 PIK3CA (0.66) PIK3CAMTORPIK3CDCHEK1ATR
SCHEMBL3592263 0.88 PIK3CA (0.78) PIK3CAMTORPIK3CDCHEK1ATR
SCHEMBL3601945 0.88 PIK3CA (0.77) PIK3CAMTORPIK3CD
SCHEMBL3604140 0.86 PIK3CA (0.70) PIK3CAMTORPIK3CD
SCHEMBL3602020 0.86 PIK3CA (0.68) PIK3CAMTORPIK3CDCHEK1ATR
SCHEMBL3593701 0.86 PIK3CA (0.69) PIK3CAMTORPIK3CD
SCHEMBL3601400 0.85 PIK3CA (0.67) PIK3CAMTORPIK3CDCHEK1ATR
SCHEMBL3599218 0.84 PIK3CA (0.59) PIK3CAMTORPIK3CDCHEK1ATR
SCHEMBL3598896 0.81 PIK3CA (0.67) PIK3CAMTORPIK3CDCHEK1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP claimed
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
US-20100234441-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-09-16 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-7750003-B2 Compounds-943 ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171743-A1 Transcutaneous immunostimulation ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 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-20100234441-A1 NOVEL COMPOUNDS LTB4R2, TSLP, LTB4R PIK3CA 2335/4885MTOR 1138/4885PIK3CD 2305/4885
US-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885MTOR 3/4885PIK3CD 19/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 PIK3CA 1393/4885MTOR 631/4885PIK3CD 1412/4885

“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.