SCHEMBL17859992

SCHEMBL17859992

COC(=O)C(c1cc(Cl)nc(N2CCOCC2)n1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TSHR P16473 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PIK3CA P42336 3/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ MTOR P42345 2/20 0.37
▸ PIK3CG P48736 2/20 0.37

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
SCHEMBL21013963 0.82 PIK3CA (0.42) ALDH1A1MAPTL3MBTL1NPSR1CYP1A2
SCHEMBL17859918 0.79 PIK3CA (0.55) ALDH1A1MAPTL3MBTL1CYP1A2KMT2A
SCHEMBL2488434 0.76 KMT2A (0.49) ALDH1A1MAPTTSHRNPSR1CYP1A2
SCHEMBL17859826 0.76 ALDH1A1 (0.47) ALDH1A1L3MBTL1TSHRCYP1A2CYP2C19
SCHEMBL12986387 0.74 KMT2A (0.46) ALDH1A1MAPTL3MBTL1NPSR1CYP1A2
SCHEMBL11926409 0.73 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1TSHRNPSR1
SCHEMBL21697556 0.73 CYP1A2 (0.43) ALDH1A1L3MBTL1TSHRNPSR1CYP1A2
SCHEMBL19494244 0.72 TSHR (0.44) ALDH1A1L3MBTL1TSHRCYP1A2CYP2C19
SCHEMBL3991404 0.71 MAPT (0.51) ALDH1A1MAPTL3MBTL1NPSR1CYP1A2
SCHEMBL17673774 0.70 MAPT (0.56) ALDH1A1MAPTL3MBTL1TSHRNPSR1

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 6 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
EP-3441387-A1 PI3K INHIBITOR, AND PHARMACEUTICALLY ACCEPTABLE SALT, POLYCRYSTALLINE FORM, AND APPLICATION THEREOF Shanghai Haiyan Pharmaceutical Technology Co. Ltd. (CN) 2019-02-13 — — EP 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 ALDH1A1 3832/4885MAPT 2206/4885L3MBTL1 1666/4885
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof PIK3CA, PIK3CD, PIK3CG ALDH1A1 3832/4885MAPT 2206/4885L3MBTL1 1666/4885

“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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