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Sugi Predict / Compounds / SCHEMBL335081

SCHEMBL335081

SCHEMBL335081

CC(=O)c1c(C)nn(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.60
▸ ALDH1A1 P00352 6/20 0.45
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 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
SCHEMBL1335845 0.82 KDM4E (0.60) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL17290828 0.80 KDM4E (0.44) KDM4EALDH1A1GAAL3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL10341079 0.80 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL15774159 0.80 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL3229381 0.80 KDM4E (0.63) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL4205499 0.80 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL7374137 0.79 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL14269336 0.78 KDM4E (0.43) KDM4EALDH1A1GAAL3MBTL1HSD17B10
SCHEMBL3983003 0.78 KDM4E (0.56) KDM4EALDH1A1GAAL3MBTL1HSD17B10
Hydrochloric Acid SCHEMBL5010808 0.78 KDM4E (0.61) KDM4EALDH1A1GAAL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112689507-B Amino acid compounds having unbranched linkers and methods of use thereof 普利安特治疗公司 2024-07-30 — — CN disclosed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP disclosed
US-9975855-B2 Pyrazole indanyl carboxamides BAYER CROPSCIENCE AG (DE) 2018-05-22 — — US disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 — — EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 — — US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 — — US disclosed
US-20160039768-A1 PYRAZOLE INDANYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2016-02-11 — — US disclosed
US-9249104-B2 Pyrazole indanyl carboxamides BAYER CROPSCIENCE AG (DE) 2016-02-02 — — US disclosed
WO-2009073780-A1 PROCESS FOR MAKING MACROCYCLIC OXIMYL HEPATITIS C PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-06-11 — — WO disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 — — US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 — — US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 — — EP disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 — — US disclosed
US-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's ASTEX THERAPEUTICS LIMITED (GB) 2008-08-14 — — US disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 — — WO disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 — — US disclosed
WO-2006077419-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — WO disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 — — 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 (4 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-20080194562-A1 Pyrazole Derivatives For The Inhibition Of Cdk's And Gsk's CDK1, CDK3, CDK2 KDM4E 935/4885ALDH1A1 3685/4885GAA 4142/4885
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 KDM4E 1457/4885ALDH1A1 1576/4885GAA 4194/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 KDM4E 1666/4885ALDH1A1 1702/4885GAA 1883/4885
US-20160039768-A1 PYRAZOLE INDANYL CARBOXAMIDES PIR, AADAC, CBR3 KDM4E 1085/4885ALDH1A1 3032/4885GAA 3004/4885

“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.