SCHEMBL3591707

SCHEMBL3591707

C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)C2CC2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.59
PIK3CA P42336 5/20 0.59
PDCD1 Q15116 16/20 0.54
CD274 Q9NZQ7 16/20 0.54
ATR Q13535 14/20 0.54
CHEK1 O14757 12/20 0.54
ATRIP Q8WXE1 12/20 0.54
MTOR P42345 3/20 0.52
ATM Q13315 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
SCHEMBL3606254 0.96 PIK3CD (0.57) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL3595582 0.95 PIK3CD (0.56) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL3594578 0.90 PIK3CA (0.61) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL738650 0.90 PIK3CA (0.72) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL3588712 0.89 PIK3CD (0.51) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL3602834 0.89 PIK3CA (0.61) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL3606397 0.88 PIK3CA (0.59) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL11898425 0.88 PIK3CA (0.59) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL740453 0.87 PIK3CA (0.60) PIK3CDPIK3CAPDCD1CD274ATR
SCHEMBL8219009 0.86 PIK3CD (0.57) PIK3CDPIK3CAPDCD1CD274ATR

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 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 (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 PIK3CD 19/4885PIK3CA 20/4885PDCD1 474/4885

“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.