Sugi Predict

Sugi Predict / Compounds / SCHEMBL2145204

SCHEMBL2145204

SCHEMBL2145204

CCOC(=O)c1ncn(CCOc2ccc(C#N)cc2)c1C(=O)O.N#Cc1ccc(OCCN)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA2 P47869 2/20 0.43
▸ NSD2 O96028 1/20 0.42
▸ NSD3 Q9BZ95 1/20 0.42
▸ HRH2 P25021 2/20 0.42
▸ HRH1 P35367 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TBXAS1 P24557 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KCNA5 P22460 2/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ EIF4EBP1 Q13541 1/20 0.37

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
SCHEMBL2145421 0.88 ALDH1A1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2146056 0.86 MAPK1 (0.51) HRH3KDM4EALDH1A1MAPTTBXAS1
SCHEMBL2146065 0.82 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2145351 0.74 NSD2 (0.49) NSD2NSD3HRH3ALDH1A1MAPT
SCHEMBL2145381 0.71 NSD2 (0.51) NSD2NSD3HRH2HRH1HRH3
SCHEMBL2145876 0.71 NPC1 (0.47) ALDH1A1MAPTL3MBTL1
SCHEMBL2145277 0.71 NSD2 (0.51) NSD2NSD3HRH2HRH1HRH3
SCHEMBL5186339 0.70 GAA (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2145655 0.70 HRH2 (0.45) NSD2NSD3HRH2HRH1HRH3
SCHEMBL2145448 0.69 NPC1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329738-B2 Use of AMPK-activating imidazole derivatives, preparation process therefor and pharmaceutical compositions comprising them MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2012-12-11 — — US disclosed
EP-2040702-B1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2011-07-27 — — EP disclosed
US-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-10-08 — — US disclosed
EP-2040702-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Merck Patent GmbH (DE) 2009-04-01 — — EP disclosed
WO-2008006432-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MERCK PATENT GMBH (DE) 2008-01-17 — — 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 (1 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-20090253764-A1 USE OF AMPK-ACTIVATING IMIDAZOLE DERIVATIVES, PREPARATION PROCESS THEREFOR AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PRKAG1, PRKAB1, PRKAG2 GABRA1 834/4885GABRG2 1290/4885GABRB3 480/4885

“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.