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Sugi Predict / Compounds / SCHEMBL2212434

SCHEMBL2212434

SCHEMBL2212434

COc1ccc2c(C(=O)C(C)C)nn(CC(C)C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 3/20 0.43
▸ CDK5R1 Q15078 3/20 0.43
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ ATM Q13315 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ SLC16A3 O15427 1/20 0.41
▸ SLC16A1 P53985 1/20 0.41
▸ HTR3A P46098 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 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
SCHEMBL13844068 0.88 DYRK1A (0.47) GSK3AGSK3BATMKMT2AHTR3A
SCHEMBL3957542 0.86 HTR3A (0.41) HTR3AALDH1A1KDM4EDYRK1AGAA
SCHEMBL13844069 0.86 HTR3A (0.41) GSK3AGSK3BATMHTR3AHTR2A
SCHEMBL2212756 0.85 SSTR5 (0.42) GSK3AGSK3BATMMEN1KMT2A
SCHEMBL4727955 0.85 HTR3A (0.38) GSK3AGSK3BATMHTR3AHTR2A
SCHEMBL17452609 0.84 ROCK1 (0.47) ATMMEN1KMT2APAX8SLC16A3
SCHEMBL2241822 0.84 AKR1C3 (0.41) GSK3AGSK3BATMHTR3AHTR2A
SCHEMBL2208277 0.84 TDP1 (0.39) GSK3AGSK3BATMHTR3AALDH1A1
SCHEMBL2208705 0.83 SSTR5 (0.43) GSK3AGSK3BATMMEN1KMT2A
SCHEMBL10074207 0.83 ELANE (0.44) CDK5CDK5R1GSK3AGSK3BATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK FROSST CANADA (CA) 2011-09-29 — — US claimed
EP-1613621-B1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD (CA) 2010-07-21 — — EP claimed
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-10-29 — — US claimed
EP-1912957-A4 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD (CA) 2009-05-13 — — EP claimed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 — — US claimed
EP-1912957-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 — — EP claimed
EP-1912977-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF Merck Frosst Canada Ltd. (CA) 2008-04-23 — — EP claimed
WO-2007014454-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO claimed
WO-2007014462-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2007-02-08 — — WO claimed
JP-2006520758-A — — 2006-09-14 — — JP claimed
EP-1613621-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS Merck Frosst Canada Ltd. (CA) 2006-01-11 — — EP claimed
WO-2005116010-A1 EP4 RECEPTOR AGONIST, COMPOSITIONS AND METHODS THEREOF MERCK FROSST CANADA LTD. (CA) 2005-12-08 — — WO claimed
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2005-10-13 — — US claimed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 — — WO claimed
WO-2004085431-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 — — WO claimed
US-20040198701-A1 EP4 receptor agonist, compositions and methods thereof MERCK CANADA INC. (CA) 2004-10-07 — — US claimed
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK FROSST CANADA (CA) 2011-09-29 — — US disclosed
US-RE42562-E1 EP4 receptor agonist, compositions and methods thereof MERCK FROSST CANADA (CA) 2011-07-19 — — US disclosed
WO-2004085430-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR AGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 — — WO disclosed
WO-2004085431-A1 PROSTAGLANDIN ANALOGS AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2004-10-07 — — 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 (5 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-20040198701-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 CDK5 2396/4885CDK5R1 1308/4885GSK3A 3147/4885
US-20090270395-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 CDK5 2232/4885CDK5R1 1196/4885GSK3A 3421/4885
US-20110237511-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 CDK5 2385/4885CDK5R1 1312/4885GSK3A 3162/4885
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 CDK5 2385/4885CDK5R1 1312/4885GSK3A 3162/4885
US-20050227969-A1 EP4 receptor agonist, compositions and methods thereof PTGER4, PTGER1, PTGER3 CDK5 2385/4885CDK5R1 1312/4885GSK3A 3162/4885

“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.