SCHEMBL4205671

SCHEMBL4205671

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
SCN9A Q15858 1/20 0.39
AURKA O14965 1/20 0.39
PDPK1 O15530 1/20 0.39
ATR Q13535 3/20 0.37
MTOR P42345 7/20 0.36
HTR3A P46098 1/20 0.36
MDM2 Q00987 1/20 0.36
PIK3CA P42336 5/20 0.36
PIK3CB P42338 2/20 0.35
MALT1 Q9UDY8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL28691680 1.00 FPR2 (0.39) FPR2SCN9AAURKAPDPK1ATR
SCHEMBL22773890 0.87 KMO (0.40) FPR2SCN9AAURKAPDPK1ATR
SCHEMBL22773888 0.87 KMO (0.40) FPR2SCN9AAURKAPDPK1ATR
SCHEMBL24263564 0.86 FPR2 (0.36) FPR2SCN9AATRMTORMDM2
SCHEMBL2487867 0.85 ATR (0.47) ATRMTORPIK3CAMALT1
SCHEMBL738648 0.85 ATR (0.47) ATRMTORPIK3CAMALT1
SCHEMBL2492704 0.85 ATR (0.47) ATRMTORPIK3CAMALT1
SCHEMBL28788260 0.80 AURKA (0.41) AURKAPDPK1ATRMTORPIK3CA
SCHEMBL593003 0.80 PIK3CB (0.48) PIK3CAPIK3CBALDH1A1
SCHEMBL22773872 0.78 AURKA (0.41) FPR2SCN9AAURKAPDPK1ATR

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 8 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
EP-3983409-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2022-04-20 EP disclosed
CN-114008044-A Pyridyl or pyrimidinyl MTOR kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2022-02-01 CN disclosed
WO-2020249652-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 WO disclosed
CN-101801962-A Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases ASTRAZENECA AB 2010-08-11 CN disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US disclosed
US-20090018134-A1 Compounds - 945 ASTRAZENECA AB (SE) 2009-01-15 US 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 (2 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-20090018134-A1 Compounds - 945 MTOR, PIK3CA, PIK3R5 FPR2 4828/4885SCN9A 2429/4885AURKA 647/4885
US-20220306623-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS MTOR, RICTOR, RPTOR FPR2 1991/4885SCN9A 3084/4885AURKA 544/4885

“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.