SCHEMBL16248397

SCHEMBL16248397

CC1(C)CC(=O)c2[nH]c3ccc(Br)cc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPKAPK2 P49137 2/20 0.46
HPGD P15428 1/20 0.45
GSK3B P49841 13/20 0.45
CCNB2 O95067 13/20 0.45
CDK1 P06493 13/20 0.45
CCNB1 P14635 13/20 0.45
CCNB3 Q8WWL7 13/20 0.45
CDK5 Q00535 9/20 0.45
CDK5R1 Q15078 9/20 0.45
CDK2 P24941 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CCNE2 O96020 2/20 0.43
CCNE1 P24864 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ABL1 P00519 2/20 0.43
LCK P06239 2/20 0.43

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
SCHEMBL14731462 0.86 LMNA (0.55) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL14730818 0.82 MAPKAPK2 (0.44) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL14730815 0.80 MEN1 (0.44) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL20602011 0.78 LMNA (0.59) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL14731457 0.75 AURKB (0.46) LMNAALDH1A1MAPTMAPK1HPGD
SCHEMBL14731454 0.74 MAPKAPK2 (0.42) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL14730754 0.73 LMNA (0.57) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL14730759 0.73 LMNA (0.60) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL17172718 0.72 LMNA (0.49) LMNAALDH1A1MAPTMAPK1MAPKAPK2
SCHEMBL14895916 0.70 HSD17B10 (0.46) LMNAALDH1A1MAPTMAPK1MAPKAPK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748167-B1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-03-01 EP disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim International GmbH (DE) 2016-05-17 US disclosed
US-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim 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-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 US disclosed
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LMNA 1026/4885ALDH1A1 1605/4885MAPT 4686/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 LMNA 1423/4885ALDH1A1 773/4885MAPT 4556/4885

“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.