SCHEMBL2390838

SCHEMBL2390838

Oc1cc(C2CCCNC2)n[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.42
CHEK1 O14757 5/20 0.42
CCNA2 P20248 5/20 0.42
CCNA1 P78396 5/20 0.42
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
CDK1 P06493 1/20 0.38
IKBKB O14920 1/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2A P28223 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
SCHEMBL2390834 1.00 CDK2 (0.42) CDK2CHEK1CCNA2CCNA1CHRM2
SCHEMBL2392844 0.90 HTR3A (0.37)
SCHEMBL2392847 0.90 HTR3A (0.37)
SCHEMBL20473863 0.80 CHEK1 (0.48) CDK2CHEK1CCNA2CCNA1CHRM2
SCHEMBL8303399 0.78
SCHEMBL23103096 0.76 CHRM2 (0.40) CDK2CHEK1CCNA2CCNA1CHRM2
SCHEMBL19737828 0.71 MAPK8 (0.39) CDK2CHEK1CCNA2CCNA1DRD2
SCHEMBL2030239 0.70 MAP3K12 (0.50) CDK2CHEK1CCNA2CCNA1CHRM2
SCHEMBL21193168 0.69 CHRM2 (0.44) CDK2CHEK1CCNA2CCNA1CHRM2
SCHEMBL21193137 0.69 CHEK1 (0.43) CDK2CHEK1CCNA2CCNA1CHRM2

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 CDK2 367/4885CHEK1 4826/4885CCNA2 1047/4885

“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.