SCHEMBL2514010

SCHEMBL2514010

C[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CC2)nc(-c2cccc3[nH]ccc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 20/20 1.00
MTOR P42345 6/20 1.00
ATRIP Q8WXE1 6/20 1.00
PIK3CA P42336 4/20 1.00
KCNH2 Q12809 2/20 1.00
TAF1 P21675 2/20 1.00
PRKDC P78527 2/20 1.00
PIK3R1 P27986 1/20 1.00
ATM Q13315 1/20 1.00
CHEK1 O14757 1/20 0.71
PDCD1 Q15116 1/20 0.71
CD274 Q9NZQ7 1/20 0.71

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
SCHEMBL29374072 1.00 ATR (1.00) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL2511931 1.00 ATR (1.00) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL23389998 1.00 ATR (1.00) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL6519019 0.97 ATR (0.93) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL6525114 0.97 ATR (0.93) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL2511925 0.97 ATR (0.93) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL2512274 0.97 ATR (0.93) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL2515264 0.95 ATR (0.91) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL9979381 0.93 ATR (0.87) ATRMTORATRIPPIK3CAKCNH2
SCHEMBL9979100 0.93 ATR (0.87) ATRMTORATRIPPIK3CAKCNH2

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 6 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 claimed
US-20110053923-A1 CHEMICAL COMPOUNDS 610 ASTRAZENECA (SE) 2011-03-03 US claimed
WO-2010073034-A1 PYRIMIDINE INDOLE DERIVATIVES FOR TREATING CANCER ASTRAZENECA AB (SE) 2010-07-01 WO claimed
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 2253/4885MTOR 954/4885ATRIP 3336/4885

“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.