SCHEMBL1097322

SCHEMBL1097322

COc1c[c]c(C#N)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
AR P10275 10/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
USP8 P40818 1/20 0.34
USP7 Q93009 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PGR P06401 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9899999 0.86 AR (0.36) KDM4EALDH1A1USP2ARSMN1; SMN2
SCHEMBL28229490 0.82 POLB (0.34) KDM4EALDH1A1USP2ARL3MBTL1
SCHEMBL1899040 0.77 ALDH1A1 (0.42) KDM4EALDH1A1GAAL3MBTL1CYP3A4
SCHEMBL1097867 0.69 ACHE (0.41) KDM4EALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL1343373 0.69 ALDH1A1 (0.55) KDM4EALDH1A1USP2ARPGR
SCHEMBL592705 0.69 CYP3A4 (0.39) KDM4EALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL2681456 0.68 AR (0.47) KDM4EALDH1A1USP2ARPGR
SCHEMBL8131085 0.68 ALDH1A1 (0.42) KDM4EALDH1A1USP2ARPGR
SCHEMBL4258349 0.67 ALDH1A1 (0.59) KDM4EALDH1A1USP2ARPDE4A
SCHEMBL2761994 0.67 ALDH1A1 (0.59) KDM4EALDH1A1USP2ARPGR

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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO claimed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 US disclosed
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-03-03 US disclosed
EP-3610872-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2020-02-19 EP disclosed
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2019-10-03 US disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
EP-1133475-A1 SUBSTITUTED BENZO DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-09-19 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed
WO-2000031039-A1 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-02 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 (7 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 KDM4E 4211/4885ALDH1A1 1244/4885USP2 4212/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 KDM4E 4211/4885ALDH1A1 1244/4885USP2 4212/4885
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 KDM4E 4299/4885ALDH1A1 1118/4885USP2 4221/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 KDM4E 4211/4885ALDH1A1 1244/4885USP2 4212/4885
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT KDM4E 2142/4885ALDH1A1 433/4885USP2 4631/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 KDM4E 3833/4885ALDH1A1 1518/4885USP2 4164/4885
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 KDM4E 4160/4885ALDH1A1 1279/4885USP2 4220/4885

“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.