SCHEMBL758447

SCHEMBL758447

CCOC(=O)c1cccc(NC(=O)c2n[nH]c3ccc(Nc4ccnc(N)n4)cc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.56
MAPKAPK2 P49137 4/20 0.47
BRAF P15056 1/20 0.47
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ABCB1 P08183 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL10269411 0.87 ROCK1 (0.55) ROCK1MAPKAPK2RAB9ANPC1FLT3
SCHEMBL10269198 0.86 FLT3 (0.60) ROCK1MAPKAPK2FLT3MAP4K1
SCHEMBL10269613 0.83 MAPKAPK2 (0.54) ROCK1MAPKAPK2FLT3MAP4K1
SCHEMBL10269340 0.83 MAPKAPK2 (0.60) ROCK1MAPKAPK2FLT3MAP4K1
SCHEMBL10269659 0.82 FLT3 (0.56) ROCK1MAPKAPK2FLT3MAP4K1
SCHEMBL10269609 0.81 MAPKAPK2 (0.68) ROCK1MAPKAPK2FLT3MAP4K1
SCHEMBL10269062 0.80 MAPKAPK2 (0.55) ROCK1MAPKAPK2FLT3
SCHEMBL4524140 0.79 FLT3 (0.68) RAB9AL3MBTL1KMT2AALDH1A1MAPK1
SCHEMBL10269343 0.79 MAPKAPK2 (0.52) ROCK1MAPKAPK2L3MBTL1ALDH1A1MAPT
SCHEMBL10269345 0.79 MAPKAPK2 (0.63) ROCK1MAPKAPK2FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139983-A1 [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS H. LUNDBECK A/S (DK) 2014-09-18 WO disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 US disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 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 (5 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 ROCK1 2438/4885MAPKAPK2 1905/4885BRAF 1487/4885
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 ROCK1 754/4885MAPKAPK2 1685/4885BRAF 3018/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ROCK1 1830/4885MAPKAPK2 2101/4885BRAF 3418/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 ROCK1 1830/4885MAPKAPK2 2101/4885BRAF 3418/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 ROCK1 2438/4885MAPKAPK2 1905/4885BRAF 1487/4885

“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.