SCHEMBL17859910

SCHEMBL17859910

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

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3R1 P27986 15/20 0.43
▸ PIK3CA P42336 15/20 0.43
▸ ATR Q13535 3/20 0.40
▸ ATRIP Q8WXE1 3/20 0.40
▸ MTOR P42345 2/20 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
SCHEMBL17859890 0.82 PIK3CA (0.43) PIK3R1PIK3CAMTOR
SCHEMBL19466463 0.81 PIK3CA (0.40) PIK3R1PIK3CAMTOR
SCHEMBL17859913 0.81 PIK3CA (0.40) PIK3R1PIK3CAMTOR
SCHEMBL17859895 0.79 MTOR (0.43) PIK3R1PIK3CAATRMTOR
SCHEMBL19466479 0.79 MTOR (0.43) PIK3R1PIK3CAATRMTOR
SCHEMBL19665928 0.77 MTOR (0.44) PIK3R1PIK3CAMTOR
SCHEMBL17859907 0.76 PIK3CA (0.41) PIK3R1PIK3CAATRMTOR
SCHEMBL21263157 0.75 PIK3R1 (0.46) PIK3R1PIK3CAATRATRIPMTOR
SCHEMBL2370376 0.73 MTOR (0.55) PIK3R1PIK3CAATRMTOR
SCHEMBL2370380 0.73 MTOR (0.55) PIK3R1PIK3CAATRMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3235816-B1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD (CN) 2020-02-12 — — EP disclosed
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
EP-3235816-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2017-10-25 — — EP disclosed
WO-2016095833-A1 2-MORPHOLIN-4,6-DISUBSTITUTED PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2016-06-23 — — 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 (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 PIK3R1 10/4885PIK3CA 1/4885ATR 1151/4885
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof PIK3CA, PIK3CD, PIK3CG PIK3R1 10/4885PIK3CA 1/4885ATR 1151/4885

“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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