SCHEMBL2490083

SCHEMBL2490083

CSc1nc(N2CC3CCC(C2)O3)cc(C2(S(C)(=O)=O)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATR Q13535 18/20 0.55
PIK3CA P42336 3/20 0.37
MTOR P42345 2/20 0.37

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
SCHEMBL2492087 0.80 ATR (0.64) ATRPIK3CAMTOR
SCHEMBL2487135 0.76 ATR (0.44) ATRPIK3CAMTOR
SCHEMBL6525555 0.72 ATR (1.00) ATRPIK3CAMTOR
SCHEMBL23405423 0.69 ATR (0.43) ATRPIK3CAMTOR
SCHEMBL25405929 0.67 ATR (0.41) ATRPIK3CAMTOR
SCHEMBL25406413 0.67 ATR (0.41) ATRPIK3CAMTOR
SCHEMBL26301075 0.66 ATR (0.41) ATRPIK3CAMTOR
SCHEMBL25405924 0.66 ATR (0.44) ATRPIK3CAMTOR
SCHEMBL26289452 0.66 ATR (0.44) ATRPIK3CAMTOR
SCHEMBL23848905 0.65 ATR (0.58) ATRPIK3CAMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379530-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER AstraZeneca AB (SE) 2011-10-26 EP disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 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-20110053923-A1 CHEMICAL COMPOUNDS 610 ABCG2, CYP3A7, CYP2C19 ATR 2253/4885PIK3CA 1564/4885MTOR 954/4885

“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.