SCHEMBL17859905

SCHEMBL17859905

COC(=O)c1cc(Cl)nc(N2CCOC[C@@H]2C)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 18/20 0.52
▸ PIK3CA P42336 2/20 0.45
▸ ATR Q13535 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PFKP Q01813 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ RPTOR Q8N122 1/20 0.43
▸ PIK3C3 Q8NEB9 1/20 0.43
▸ MLST8 Q9BVC4 1/20 0.43

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
SCHEMBL738648 0.82 ATR (0.47) MTORPIK3CAATRPIK3CD
SCHEMBL2487867 0.82 ATR (0.47) MTORPIK3CAATRPIK3CD
SCHEMBL20742089 0.82 MTOR (0.48) MTORPIK3CAATRPIK3CD
SCHEMBL24269976 0.82 ATR (0.47) MTORPIK3CAATRPIK3CDPIK3C3
SCHEMBL20742087 0.82 MTOR (0.48) MTORPIK3CAATRPIK3CD
SCHEMBL24269977 0.82 ATR (0.47) MTORPIK3CAATRPIK3CDPIK3C3
SCHEMBL2492704 0.82 ATR (0.47) MTORPIK3CAATRPIK3CD
SCHEMBL2370376 0.82 MTOR (0.55) MTORPIK3CAATRPIK3R1
SCHEMBL2370380 0.82 MTOR (0.55) MTORPIK3CAATRPIK3R1
SCHEMBL11926409 0.80 ALDH1A1 (0.49) MTORPIK3CAPIK3CBPIK3CG

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
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-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
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
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 MTOR 14/4885PIK3CA 1/4885ATR 1151/4885
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof PIK3CA, PIK3CD, PIK3CG MTOR 14/4885PIK3CA 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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