SCHEMBL2489919

SCHEMBL2489919

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

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.52
ATRIP Q8WXE1 5/20 0.52
MTOR P42345 5/20 0.49
KCNH2 Q12809 4/20 0.49
TAF1 P21675 3/20 0.49
PIK3CA P42336 3/20 0.49
PRKDC P78527 2/20 0.49
PIK3R1 P27986 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL6518645 1.00 ATR (0.52) ATRATRIPMTORKCNH2TAF1
SCHEMBL4202234 1.00 ATR (0.52) ATRATRIPMTORKCNH2TAF1
SCHEMBL2489908 0.96 ATR (0.49) ATRATRIPMTORKCNH2TAF1
SCHEMBL4197531 0.96 ATR (0.49) ATRATRIPMTORKCNH2TAF1
SCHEMBL2489905 0.96 ATR (0.49) ATRATRIPMTORKCNH2TAF1
SCHEMBL2490826 0.90 ATR (0.45) ATRATRIPMTORKCNH2TAF1
SCHEMBL3926666 0.90 MTOR (0.49) ATRATRIPMTORKCNH2TAF1
SCHEMBL3926661 0.90 MTOR (0.49) ATRATRIPMTORKCNH2TAF1
SCHEMBL2491932 0.89 ATR (0.64) ATRATRIPMTORKCNH2TAF1
SCHEMBL2490425 0.89 ATR (0.64) ATRATRIPMTORKCNH2TAF1

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 2253/4885ATRIP 3336/4885MTOR 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.