SCHEMBL3606816

SCHEMBL3606816

CS(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.83
MTOR P42345 14/20 0.83
PIK3CD O00329 3/20 0.80
PIK3CG P48736 4/20 0.62
ATR Q13535 2/20 0.58
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.53
CYP3A4 P08684 1/20 0.52

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
SCHEMBL3598003 0.92 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3602032 0.92 MTOR (0.84) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3608637 0.91 MTOR (0.81) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3593328 0.91 MTOR (1.00) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3602456 0.90 MTOR (0.85) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3599274 0.90 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3592070 0.89 MTOR (0.80) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3596758 0.89 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGATR
SCHEMBL3054199 0.89 MTOR (0.79) PIK3CAMTORPIK3CDATRCYP2C9
SCHEMBL3602901 0.88 PIK3CA (0.82) PIK3CAMTORPIK3CDPIK3CGATR

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 8 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
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20080171743-A1 Transcutaneous immunostimulation NFATC1, TLR9, MTOR PIK3CA 20/4885MTOR 3/4885PIK3CD 19/4885

“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.