SCHEMBL17859909

SCHEMBL17859909

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HTT P42858 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PIK3CA P42336 5/20 0.41
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GPR55 Q9Y2T6 1/20 0.40
▸ PIK3R1 P27986 1/20 0.40
▸ MTOR P42345 3/20 0.40
▸ PIK3CG P48736 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ RAF1 P04049 1/20 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
SCHEMBL19684344 0.88 HTT (0.47) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL19678674 0.88 CYP1A2 (0.42) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL17859914 0.87 ALDH1A1 (0.45) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL17859827 0.82 POLB (0.43) CYP1A2TSHRSMN1; SMN2KDM4EPIK3CA
SCHEMBL19678675 0.81 PIK3CA (0.38) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL17859916 0.80 RAF1 (0.37) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL17859834 0.78 MAPT (0.47) CYP1A2CYP2D6MAPTSMN1; SMN2HTT
SCHEMBL17859846 0.78 ALDH1A1 (0.45) MAPTTSHRSMN1; SMN2HTTKDM4E
SCHEMBL17859925 0.77 RAF1 (0.47) CYP1A2CYP2D6MAPTTSHRSMN1; SMN2
SCHEMBL13848187 0.76 PIK3CA (0.56) CYP1A2CYP2D6MAPTTSHRSMN1; 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 6 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
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 CYP1A2 1011/4885CYP2D6 123/4885MAPT 2206/4885
US-10227324-B2 2-morpholin-4,6-disubstituted pyrimidine derivative, and preparation method and pharmaceutical use thereof PIK3CA, PIK3CD, PIK3CG CYP1A2 1011/4885CYP2D6 123/4885MAPT 2206/4885

“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