SCHEMBL17859914

SCHEMBL17859914

O=C(N1CCOCC1)C1(c2cc(Cl)nc(N3CCOCC3)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HTT P42858 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PIK3CA P42336 4/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL17859909 0.87 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL19684344 0.86 HTT (0.47) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL19678674 0.86 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL17859827 0.80 POLB (0.43) ALDH1A1CYP1A2SMN1; SMN2KDM4EPIK3CA
SCHEMBL19678675 0.79 PIK3CA (0.38) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL17859916 0.78 RAF1 (0.37) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL17859834 0.76 MAPT (0.47) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL17859846 0.76 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2HTTKDM4E
SCHEMBL17859925 0.75 RAF1 (0.47) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2
SCHEMBL17673774 0.74 MAPT (0.56) ALDH1A1CYP1A2CYP2D6MAPTSMN1; SMN2

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-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 (1 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 3832/4885CYP1A2 1011/4885CYP2D6 123/4885

“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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