SCHEMBL17859826

SCHEMBL17859826

CCOC(=O)C(C(=O)OCC)c1cc(Cl)nc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ GLA P06280 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PIK3CA P42336 1/20 0.42
▸ AKT1 P31749 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL19494244 0.86 TSHR (0.44) ALDH1A1KDM4EHSD17B10ALOX15HPGD
SCHEMBL21697556 0.85 CYP1A2 (0.43) ALDH1A1KDM4EHSD17B10ALOX15HPGD
SCHEMBL17859906 0.82 PIK3CA (0.44) PIK3CA
SCHEMBL19466480 0.82 PIK3CA (0.44) PIK3CA
SCHEMBL17859828 0.79 AKT1 (0.52) ALDH1A1KDM4EHSD17B10ALOX15HPGD
SCHEMBL3103914 0.79 POLB (0.63) ALDH1A1KDM4EHSD17B10ALOX15HPGD
SCHEMBL12986387 0.76 KMT2A (0.46) ALDH1A1KDM4EHPGDLMNACYP1A2
SCHEMBL17859827 0.76 POLB (0.43) ALDH1A1KDM4EHSD17B10ALOX15HPGD
SCHEMBL17859992 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL3997714 0.74 PIK3CA (0.53) ALDH1A1KDM4EHSD17B10ALOX15HPGD

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
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
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 3832/4885KDM4E 1738/4885HSD17B10 2712/4885
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof PIK3CA, PIK3CD, PIK3CG ALDH1A1 3832/4885KDM4E 1738/4885HSD17B10 2712/4885

“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.

Send feedback