SCHEMBL8327744

SCHEMBL8327744

Cc1cccc(CN2CCCC2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP3A4 P08684 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 1/20 0.50
BRD4 O60885 1/20 0.49
MAOB P27338 1/20 0.48
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
MAPK13 O15264 1/20 0.47
PDPK1 O15530 1/20 0.47
DYRK3 O43781 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47

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
SCHEMBL27383396 0.95 L3MBTL1 (0.65) KMT2APOLBMEN1L3MBTL1KDM4E
SCHEMBL13181473 0.84 L3MBTL1 (0.58) KMT2APOLBMEN1L3MBTL1MAPK1
SCHEMBL15152924 0.81 L3MBTL1 (0.58) KMT2APOLBL3MBTL1MAPK1CDC7
SCHEMBL3388088 0.81 L3MBTL1 (0.58) KMT2AL3MBTL1TDP1MAPK1MAOB
SCHEMBL11010729 0.81 L3MBTL1 (0.58) KMT2APOLBMEN1L3MBTL1MAPK1
SCHEMBL24732719 0.81 L3MBTL1 (0.58) KMT2APOLBMEN1L3MBTL1MAPK1
SCHEMBL15516474 0.81 L3MBTL1 (0.58) KMT2AL3MBTL1MAPK1CDC7PLK4
SCHEMBL29809160 0.81 L3MBTL1 (0.58) KMT2APOLBMEN1L3MBTL1MAPK1
SCHEMBL2720932 0.81 L3MBTL1 (0.58) KMT2AL3MBTL1MAPK1CDC7PLK4
SCHEMBL16158946 0.81 KMT2A (0.48) KMT2APOLBMEN1L3MBTL1KDM4E

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
EP-2590950-B1 N-CYCLYL-3-(CYCLYLCARBONYLAMINOMETHYL)BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-15 EP disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
EP-1592426-B1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2007-12-19 EP disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA KMT2A 3143/4885POLB 2716/4885MEN1 1338/4885

“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.