SCHEMBL14730767

SCHEMBL14730767

Cn1cncc1CNC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)C(C)(C)CC(C)(C)C3=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITK Q08881 5/20 0.44
INSR P06213 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
GSK3B P49841 1/20 0.41
KMT2A Q03164 2/20 0.35
PARP1 P09874 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE7B Q9NP56 1/20 0.33
NAMPT P43490 1/20 0.33
ROCK2 O75116 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL14730732 0.79 KDM4E (0.43) MAPK1KDM4EALDH1A1GAAPDE4B
SCHEMBL14730729 0.78 KDM4E (0.48) KMT2AMAPK1KDM4EALDH1A1GAA
SCHEMBL14730800 0.75 PARP1 (0.49) KMT2APARP1KDM4EALDH1A1TLR8
SCHEMBL14730846 0.72 KDM4E (0.51) GSK3BKMT2APARP1MAPK1KDM4E
SCHEMBL14730814 0.71 MAPKAPK2 (0.60) KMT2AMAPK1
SCHEMBL14730798 0.71 RAB9A (0.44) TLR9TLR8TLR7
SCHEMBL14730689 0.71 KDM4E (0.47) GSK3BKMT2APARP1KDM4EALDH1A1
SCHEMBL16248398 0.71 KIF11 (0.44) CDK2GSK3BKMT2APARP1MAPK1
SCHEMBL14730855 0.70 MAPKAPK2 (0.49) GSK3BKMT2AKDM4EGAA
SCHEMBL14730794 0.70 ROCK2 (0.44) PARP1ROCK2TLR9TLR8TLR7

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 3 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-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 ITK 4629/4885INSR 1077/4885CCNE1 258/4885

“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.