SCHEMBL2581867

SCHEMBL2581867

COc1ccccc1-c1cn[nH]c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.53
AKT1 P31749 1/20 0.52
AKT2 P31751 1/20 0.52
ROCK2 O75116 13/20 0.51
ROCK1 Q13464 13/20 0.51
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
XDH P47989 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL17276860 0.91 AKT2 (0.56) METAP2AKT1AKT2ROCK2ROCK1
SCHEMBL18355262 0.81 AKT1 (0.47) AKT1AKT2ROCK2ROCK1
SCHEMBL19398634 0.80 ROCK2 (0.59) ROCK2ROCK1
SCHEMBL19858913 0.79 RPS6KA2 (0.49) METAP2ROCK2ROCK1
SCHEMBL20611952 0.77 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL19858905 0.77 STK10 (0.48) ROCK2ROCK1ALDH1A1GAAMAPT
SCHEMBL105445 0.77 AKT1 (0.55) METAP2AKT1AKT2ROCK2ROCK1
SCHEMBL30823568 0.76 AKT2 (0.59) AKT1AKT2ROCK2ROCK1
SCHEMBL30823569 0.76 AKT2 (0.59) AKT1AKT2ROCK2ROCK1
SCHEMBL28552255 0.76 AKT2 (0.72) METAP2AKT1AKT2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2009-07-02 US claimed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US claimed
CN-106573906-A Piperidine-dione derivatives 豪夫迈·罗氏有限公司 2017-04-19 CN disclosed
EP-3119760-A1 PIPERIDINE-DIONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-01-25 EP disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2017-01-05 US disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 WO disclosed
WO-2015140133-A1 PIPERIDINE-DIONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-09-24 WO disclosed
WO-2015142903-A2 METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES GENENTECH, INC. (US) 2015-09-24 WO disclosed
EP-1689720-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS Aventis Pharma S.A. (FR) 2006-08-16 EP disclosed
WO-2005051917-A9 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2005-09-29 WO disclosed
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2005-07-28 US disclosed
WO-2005051917-A1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA S.A. (FR) 2005-06-09 WO disclosed
US-20040242633-A1 Beta3 adrenergic agonists EVERS BRITTA (DE) 2004-12-02 US disclosed
US-6730792-B2 PYRIDINE DERIVATIVES; ANTIDIABETIC, ANTICHOLESTEROL, AND ANTIINFLAMMATORY AGENTS; DECYCLIZATION, DEETHERIFICATION; OBESITY; RAISES HIGH DENSITY LIPOPROTEINS; LOWERS TRIGLYCERIDE LEVELS ELI LILLY AND COMPANY 2004-05-04 US disclosed
US-20030191156-A1 Beta3 adrenergic agonists JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2003-10-09 US disclosed
EP-1303509-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-04-23 EP disclosed
WO-2002006276-A1 BETA3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2002-01-24 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-20030191156-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 METAP2 1033/4885AKT1 1732/4885AKT2 1343/4885
US-20090170833-A1 PYRAZOLYL DERIVATIVES, PREPARATION PROCESS AND INTERMEDIATES OF THIS PROCESS AS MEDICINAL PRODUCTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM C1R, CBR3, C3AR1 METAP2 4081/4885AKT1 1684/4885AKT2 968/4885
US-20040242633-A1 Beta3 adrenergic agonists ADRB3, ADRB1, ADRB2 METAP2 1163/4885AKT1 1815/4885AKT2 1494/4885
US-20170001990-A1 PIPERIDINE-DIONE DERIVATIVES DRD4, ADORA1, ADORA3 METAP2 4693/4885AKT1 3204/4885AKT2 3118/4885
US-20050165005-A1 Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them C1R, CBR3, C3AR1 METAP2 4095/4885AKT1 1696/4885AKT2 968/4885

“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.