SCHEMBL2394550

SCHEMBL2394550

COC(=O)C(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KLK5 Q9Y337 2/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAPK1 P28482 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HPGD P15428 1/20 0.38
RCE1 Q9Y256 1/20 0.38
REN P00797 1/20 0.38

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
SCHEMBL12310229 1.00 KDM4E (0.44) KDM4EKLK5CTSSCTSKMAPK1
SCHEMBL2394556 1.00 KDM4E (0.44) KDM4EKLK5CTSSCTSKMAPK1
SCHEMBL23201009 0.90 CTSS (0.44) KDM4EKLK5CTSSCTSKMAPK1
SCHEMBL2391133 0.81 KDM4E (0.44) KDM4ECTSSCTSKMAPK1ATM
SCHEMBL12310234 0.81 KDM4E (0.44) KDM4ECTSSCTSKMAPK1ATM
SCHEMBL2391135 0.81 KDM4E (0.44) KDM4ECTSSCTSKMAPK1ATM
SCHEMBL2392992 0.79 MAPK1 (0.43) KDM4EMAPK1KMT2AALDH1A1
SCHEMBL12259657 0.79 MAPK1 (0.43) KDM4EMAPK1KMT2AALDH1A1
SCHEMBL2392984 0.79 MAPK1 (0.43) KDM4EMAPK1KMT2AALDH1A1
SCHEMBL14841095 0.79 ATM (0.45) CTSKATMKMT2A

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
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8552205-B2 Derivatives of 6,7-dihydro-5H-imidazo[1,2-alpha]imidazole-3-carboxylic acid amides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-15 US disclosed
EP-2225238-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2010-09-08 EP disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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-20110224188-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-alpha]IMIDAZOLE-3-CARBOXYLIC ACID AMIDES HPGDS, COL14A1, ARG1 KDM4E 1701/4885KLK5 2587/4885CTSS 335/4885

“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.