SCHEMBL2392992

SCHEMBL2392992

COC(=O)C(NC(=O)C(C)N)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
CTRB1 P17538 5/20 0.43
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 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
SCHEMBL12259657 1.00 MAPK1 (0.43) MAPK1CTRB1XIAPBIRC2CYP3A4
SCHEMBL2392984 1.00 MAPK1 (0.43) MAPK1CTRB1XIAPBIRC2CYP3A4
SCHEMBL12259471 0.80 CYP3A4 (0.44) MAPK1CYP3A4CYP1A2MEN1GAA
SCHEMBL2394556 0.79 KDM4E (0.44) MAPK1KMT2AKDM4EALDH1A1
SCHEMBL2394550 0.79 KDM4E (0.44) MAPK1KMT2AKDM4EALDH1A1
SCHEMBL12310229 0.79 KDM4E (0.44) MAPK1KMT2AKDM4EALDH1A1
SCHEMBL12259663 0.77 KMT2A (0.47) CYP3A4CYP1A2MEN1GAAKMT2A
SCHEMBL20993618 0.77 KMT2A (0.47) CYP3A4CYP1A2MEN1GAAKMT2A
SCHEMBL20993624 0.77 KMT2A (0.47) CYP3A4CYP1A2MEN1GAAKMT2A
SCHEMBL2390792 0.77 KMT2A (0.47) CYP3A4CYP1A2MEN1GAAKMT2A

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 6 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
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 MAPK1 1413/4885CTRB1 4054/4885XIAP 4036/4885

“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.