SCHEMBL2489883

SCHEMBL2489883

O=S(=O)(C1CC1)C1(c2cc(N3CCOCC3)nc(Cl)n2)CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATR Q13535 17/20 0.52
PIK3CA P42336 3/20 0.43
MTOR P42345 2/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL2492100 0.96 ATR (0.55) ATRPIK3CAMTORCYP1A2CYP2D6
SCHEMBL3929824 0.94 ATR (0.51) ATRPIK3CAMTORCYP1A2CYP2D6
SCHEMBL3926843 0.94 ATR (0.51) ATRPIK3CAMTORCYP1A2CYP2D6
SCHEMBL2489967 0.85 ATR (0.61) ATRPIK3CAMTOR
SCHEMBL2489427 0.85 ATR (0.48) ATR
SCHEMBL2489934 0.85 MTOR (0.53) ATRPIK3CAMTOR
SCHEMBL2491087 0.85 MTOR (0.53) ATRPIK3CAMTOR
SCHEMBL2489931 0.85 MTOR (0.53) ATRPIK3CAMTOR
SCHEMBL2492707 0.83 ATR (0.43) ATRPIK3CAMTOR
SCHEMBL2488150 0.81 ATR (0.66) 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.