SCHEMBL4201820

SCHEMBL4201820

CC[C@H]1COCCN1c1cc(CO)nc(Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
PDPK1 O15530 1/20 0.41
MTOR P42345 9/20 0.39
PIK3CA P42336 7/20 0.39
PIK3R1 P27986 3/20 0.38
ATR Q13535 2/20 0.38
FPR2 P25090 1/20 0.34
SCN9A Q15858 1/20 0.34
MAP4K1 Q92918 1/20 0.33
PIK3CD O00329 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL22773872 1.00 AURKA (0.41) AURKAPDPK1MTORPIK3CAPIK3R1
SCHEMBL22775349 0.88 AURKA (0.41) AURKAPDPK1MTORPIK3CAPIK3R1
SCHEMBL22775348 0.88 AURKA (0.41) AURKAPDPK1MTORPIK3CAPIK3R1
SCHEMBL22773876 0.85 AURKA (0.39) AURKAPDPK1MTORPIK3CAPIK3R1
SCHEMBL22773875 0.85 AURKA (0.39) AURKAPDPK1MTORPIK3CAPIK3R1
SCHEMBL9979390 0.85 PIK3CA (0.47) MTORPIK3CAPIK3R1ATRPIK3CD
SCHEMBL738609 0.85 PIK3CA (0.47) MTORPIK3CAPIK3R1ATRPIK3CD
SCHEMBL9979386 0.85 PIK3CA (0.47) MTORPIK3CAPIK3R1ATRPIK3CD
SCHEMBL22773873 0.83 PIK3CA (0.48) AURKAPDPK1MTORPIK3CAATR
SCHEMBL22790432 0.83 AURKA (0.39) AURKAPDPK1MTORPIK3CAPIK3R1

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 9 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
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 AURKA 647/4885PDPK1 11/4885MTOR 1/4885
US-20220306623-A1 PYRIDYL OR PYRIMIDYL MTOR KINASE INHIBITORS MTOR, RICTOR, RPTOR AURKA 544/4885PDPK1 48/4885MTOR 1/4885

“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.