SCHEMBL19665928

SCHEMBL19665928

C[C@H]1COCCN1c1nc(Cl)cc(C2(OC(=O)N(C)C(C)(C)C)CCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 11/20 0.44
▸ PIK3CA P42336 9/20 0.39
▸ PIK3R1 P27986 7/20 0.39

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
SCHEMBL19466463 0.86 PIK3CA (0.40) MTORPIK3CAPIK3R1
SCHEMBL17859890 0.81 PIK3CA (0.43) MTORPIK3CAPIK3R1
SCHEMBL19466462 0.80 PIK3CA (0.67) MTORPIK3CAPIK3R1
SCHEMBL17859895 0.77 MTOR (0.43) MTORPIK3CAPIK3R1
SCHEMBL19466479 0.77 MTOR (0.43) MTORPIK3CAPIK3R1
SCHEMBL17859910 0.77 PIK3R1 (0.43) MTORPIK3CAPIK3R1
SCHEMBL17859907 0.75 PIK3CA (0.41) MTORPIK3CAPIK3R1
SCHEMBL21263157 0.72 PIK3R1 (0.46) MTORPIK3CAPIK3R1
SCHEMBL2370376 0.71 MTOR (0.55) MTORPIK3CAPIK3R1
SCHEMBL2370380 0.71 MTOR (0.55) MTORPIK3CAPIK3R1

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-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-03-12 — — US disclosed
US-20170349568-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF YANGTZE RIVER PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-12-07 — — 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-20170349568-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF PIK3CA, PIK3CD, PIK3CG MTOR 14/4885PIK3CA 1/4885PIK3R1 10/4885
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof PIK3CA, PIK3CD, PIK3CG MTOR 14/4885PIK3CA 1/4885PIK3R1 10/4885

“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.

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