SCHEMBL2145305

SCHEMBL2145305

NC(=O)c1c(O)ncn1Cc1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
NOX1 Q9Y5S8 1/20 0.51
DDX3X O00571 8/20 0.48
NTRK2 Q16620 2/20 0.48
NTRK1 P04629 1/20 0.48
AURKB Q96GD4 2/20 0.45
KDR P35968 2/20 0.45
FLT3 P36888 2/20 0.45
PLK4 O00444 1/20 0.45
ROCK2 O75116 1/20 0.45
MAP4K4 O95819 1/20 0.45
LCK P06239 1/20 0.45
CSF1R P07333 1/20 0.45
ROS1 P08922 1/20 0.45

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
SCHEMBL2145513 0.86 NR1I2 (0.58) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL2145227 0.86 ADORA3 (0.51) KDM4EALDH1A1KMT2AADORA3
SCHEMBL2145641 0.85 RAB9A (0.46) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL2145339 0.84 NR1I2 (0.46) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL2145236 0.83 POLB (0.54) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL2145580 0.82 RAB9A (0.56) KDM4EMEN1NPC1ALDH1A1THRB
SCHEMBL2145737 0.82 MEN1 (0.52) MEN1ALDH1A1RAB9AKMT2ANTRK2
SCHEMBL2145467 0.82 KMT2A (0.44) KDM4EMEN1ALDH1A1RAB9AKMT2A
SCHEMBL2145865 0.81 MEN1 (0.43) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL2145564 0.81 CA2 (0.48) KDM4EMEN1NPC1ALDH1A1RAB9A

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 8 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 claimed
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 claimed
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 claimed
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 KDM4E 2090/4885MEN1 2825/4885NPC1 1430/4885

“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.