SCHEMBL14730843

SCHEMBL14730843

Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc4[nH]c5c(c4n3)C(C)(C)CC(C)(C)C5=O)C2)cn1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 8/20 0.38
PRKAA2 P54646 4/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
CCNK O75909 1/20 0.36
CDK12 Q9NYV4 1/20 0.36
PARP1 P09874 2/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE2A O00408 1/20 0.34
USP30 Q70CQ3 1/20 0.34

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
SCHEMBL14730737 0.81 PARP1 (0.53) PARP1CCNA2CDK2USP30
SCHEMBL14730842 0.76 PARP1 (0.46) PARP1CCNA2CDK2
SCHEMBL14730773 0.75 TLR9 (0.38) KDM5A
SCHEMBL14730841 0.74 L3MBTL1 (0.40) ALDH1A1
SCHEMBL14730801 0.73 KDM5A (0.48) KDM5A
SCHEMBL5909080 0.71 VNN1 (0.53) KDM5ACCNKCDK12ALDH1A1PDE2A
SCHEMBL5909117 0.71 ALDH1A1 (0.52) KDM5ACCNKCDK12ALDH1A1PDE2A
SCHEMBL5909284 0.71 VNN1 (0.53) KDM5ACCNKCDK12ALDH1A1PDE2A
SCHEMBL16248388 0.70 TLR9 (0.43) KDM5A
SCHEMBL5747586 0.69 ALDH1A1 (0.50) KDM5ACCNKCDK12ALDH1A1PDE2A

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-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 KDM5A 4381/4885PRKAA2 4552/4885PRKAB2 4742/4885

“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.