SCHEMBL2492044

SCHEMBL2492044

CCS(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(Cl)n2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 19/20 0.46
PIK3CA P42336 3/20 0.46
MTOR P42345 4/20 0.45
KCNH2 Q12809 3/20 0.45
ATRIP Q8WXE1 5/20 0.45
TAF1 P21675 3/20 0.44
ATM Q13315 2/20 0.44
PRKDC P78527 2/20 0.44
PIK3R1 P27986 1/20 0.44

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
SCHEMBL2492045 1.00 ATR (0.46) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4194597 0.92 ATR (0.54) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL2492141 0.90 ATR (0.44) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4194174 0.90 MTOR (0.49) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL6522294 0.90 MTOR (0.49) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL2492852 0.90 MTOR (0.49) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL2489878 0.90 ATR (0.44) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL6518645 0.88 ATR (0.52) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL2489919 0.88 ATR (0.52) ATRPIK3CAMTORKCNH2ATRIP
SCHEMBL4202234 0.88 ATR (0.52) ATRPIK3CAMTORKCNH2ATRIP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325764-A Pyrimidine indole derivatives for the treatment of cancer ASTRAZENECA AB 2012-01-18 CN disclosed
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.