SCHEMBL2492087

SCHEMBL2492087

CSc1nc(N2CCOCC2)cc(C2(S(C)(=O)=O)CC2)n1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.64
KMT2A Q03164 1/20 0.55
PIK3CA P42336 3/20 0.54
MTOR P42345 2/20 0.53

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
SCHEMBL2488150 0.82 ATR (0.66) ATRPIK3CAMTOR
SCHEMBL2490083 0.80 ATR (0.55) ATRPIK3CAMTOR
SCHEMBL2489967 0.79 ATR (0.61) ATRPIK3CAMTOR
SCHEMBL2487135 0.79 ATR (0.44) ATRPIK3CAMTOR
SCHEMBL3929192 0.78 ATR (0.60) ATRPIK3CAMTOR
SCHEMBL3923817 0.78 ATR (0.60) ATRPIK3CAMTOR
SCHEMBL3923841 0.76 ATR (0.80) ATRPIK3CAMTOR
SCHEMBL1271464 0.75 MTOR (0.62) ATRKMT2APIK3CAMTOR
SCHEMBL23848905 0.74 ATR (0.58) ATRPIK3CAMTOR
SCHEMBL2491916 0.73 ATR (0.52) ATRKMT2APIK3CAMTOR

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 2253/4885KMT2A 3348/4885PIK3CA 1564/4885

“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.