SCHEMBL22790318

SCHEMBL22790318

CC[C@H]1COCCN1c1cc(C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)nc(Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATR Q13535 15/20 0.49
ATRIP Q8WXE1 3/20 0.40
GPR119 Q8TDV5 1/20 0.38
PIK3CA P42336 7/20 0.37
PIK3R1 P27986 5/20 0.37
MTOR P42345 4/20 0.37
KCNH2 Q12809 3/20 0.37
PRKDC P78527 2/20 0.37
TAF1 P21675 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL29525766 1.00 ATR (0.49) ATRATRIPGPR119PIK3CAPIK3R1
SCHEMBL6520863 0.89 ATR (0.51) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL2489969 0.89 ATR (0.51) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL4210198 0.89 ATR (0.51) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL22774159 0.89 ATR (0.52) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL22773893 0.85 ATR (0.56) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL22773895 0.85 ATR (0.56) ATRATRIPPIK3CAPIK3R1MTOR
SCHEMBL28933620 0.84 ATR (0.43) ATRGPR119PIK3CAPIK3R1MTOR
SCHEMBL22790418 0.84 ATR (0.43) ATRGPR119PIK3CAPIK3R1MTOR
SCHEMBL29526098 0.84 ATR (0.43) ATRGPR119PIK3CAPIK3R1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306623-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-09-29 US disclosed
WO-2020249652-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 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-20220306623-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS MTOR, RICTOR, RPTOR ATR 684/4885ATRIP 2959/4885GPR119 1559/4885

“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.