SCHEMBL6517442

SCHEMBL6517442

CCS(=O)(=O)C1(c2cc(N3CCOC[C@H]3C)nc(-c3cccc4[nH]ccc34)n2)CCOCC1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 0.81
ATRIP Q8WXE1 5/20 0.79
MTOR P42345 4/20 0.79
PIK3CA P42336 3/20 0.79
KCNH2 Q12809 2/20 0.79
TAF1 P21675 1/20 0.79
PIK3R1 P27986 1/20 0.79
PRKDC P78527 1/20 0.79
ATM Q13315 1/20 0.79
CHEK1 O14757 1/20 0.65
PDCD1 Q15116 1/20 0.65
CD274 Q9NZQ7 1/20 0.65

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
SCHEMBL2514204 0.97 ATR (0.84) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL2510975 0.94 ATR (0.77) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL2512274 0.92 ATR (0.93) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL6519019 0.92 ATR (0.93) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL6523217 0.92 ATR (0.69) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL31165856 0.90 ATR (0.82) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL9978987 0.90 ATR (0.82) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL9978988 0.90 ATR (0.82) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL6525672 0.90 ATR (0.81) ATRATRIPMTORPIK3CAKCNH2
SCHEMBL2516066 0.90 ATR (0.81) ATRATRIPMTORPIK3CAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US claimed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US disclosed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US 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.