SCHEMBL3601618

SCHEMBL3601618

C[C@H]1COCCN1c1cc(C(C)(C)S(=O)(=O)c2ccncc2)nc(-c2ccc(N)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 13/20 0.57
CD274 Q9NZQ7 13/20 0.57
ATR Q13535 12/20 0.57
CHEK1 O14757 11/20 0.57
ATRIP Q8WXE1 11/20 0.57
PIK3CA P42336 8/20 0.56
PIK3CD O00329 5/20 0.56
MTOR P42345 4/20 0.49
ATM Q13315 1/20 0.46

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
SCHEMBL740453 0.92 PIK3CA (0.60) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3597950 0.90 PIK3CA (0.56) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3605539 0.90 PIK3CA (0.56) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3592959 0.88 PIK3CA (0.56) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL738650 0.88 PIK3CA (0.72) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3594578 0.88 PIK3CA (0.61) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3598491 0.86 PIK3CD (0.56) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3602834 0.86 PIK3CA (0.61) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL3591707 0.86 PIK3CD (0.59) PDCD1CD274ATRCHEK1ATRIP
SCHEMBL8205302 0.86 NPSR1 (0.48) ATRPIK3CAPIK3CDMTOR

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-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 PDCD1 474/4885CD274 420/4885ATR 1452/4885

“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.