SCHEMBL14730754

SCHEMBL14730754

O=C1CCC2(CCC2)c2c1[nH]c1ccc(Br)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPK1 P28482 2/20 0.57
MAPKAPK2 P49137 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CCNB2 O95067 10/20 0.42
CDK1 P06493 10/20 0.42
CCNB1 P14635 10/20 0.42
CCNB3 Q8WWL7 10/20 0.42
GSK3B P49841 9/20 0.42
CDK5 Q00535 7/20 0.42
CDK5R1 Q15078 7/20 0.42
CDK2 P24941 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41

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
SCHEMBL14730759 0.92 LMNA (0.60) LMNAMAPTALDH1A1MAPK1MAPKAPK2
SCHEMBL17172718 0.85 LMNA (0.49) LMNAMAPTALDH1A1MAPK1MAPKAPK2
SCHEMBL14731470 0.84 MAPKAPK2 (0.44) LMNAMAPTALDH1A1MAPK1MAPKAPK2
SCHEMBL14731462 0.82 LMNA (0.55) LMNAMAPTALDH1A1MAPK1MAPKAPK2
SCHEMBL14731473 0.75 MAPKAPK2 (0.42) LMNAMAPTALDH1A1MAPK1MAPKAPK2
SCHEMBL14730680 0.75 GSK3B (0.46) MAPTALDH1A1MAPKAPK2HSD17B10CCNB2
SCHEMBL16248397 0.73 LMNA (0.50) LMNAMAPTALDH1A1MAPK1MAPKAPK2
SCHEMBL14730719 0.73 KDM4E (0.44) LMNAMAPTALDH1A1MAPK1MAPKAPK2
SCHEMBL4156981 0.73 LMNA (0.94) LMNAMAPTALDH1A1MAPK1HSD17B10
SCHEMBL31721163 0.73 LMNA (1.00) LMNAMAPTALDH1A1MAPK1HSD17B10

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
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-9340548-B2 Substituted pyrazolo[3,4-a]carbazoles as hepatitis C inhibitors Boehringer Ingehleim 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
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 (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 1026/4885MAPT 4686/4885ALDH1A1 1605/4885
US-20150291592-A1 HEPATITIS C INHIBITOR COMPOUNDS HAVCR2, CD4, HAX1 LMNA 1423/4885MAPT 4556/4885ALDH1A1 773/4885

“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.