SCHEMBL2633105

SCHEMBL2633105

CCc1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.57
KIF11 P52732 1/20 0.55
PARP1 P09874 1/20 0.54
MAOB P27338 13/20 0.52
MAOA P21397 11/20 0.52
NPC1 O15118 1/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CRBN Q96SW2 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
SCHEMBL10264374 0.90 MAPT (0.53) CA9KIF11PARP1MAOBMAOA
SCHEMBL21176961 0.88 MAOB (0.54) CA9KIF11PARP1MAOBMAOA
SCHEMBL30514791 0.88 MAOB (0.54) CA9KIF11PARP1MAOBMAOA
SCHEMBL8203141 0.87 CA9 (0.54) CA9KIF11MAOBMAOANPC1
SCHEMBL21177055 0.87 CA9 (0.48) CA9KIF11PARP1MAOBMAOA
SCHEMBL2056365 0.86 KIF11 (0.66) CA9KIF11PARP1MAOBMAOA
SCHEMBL17969088 0.84 CA9 (0.59) CA9MAOBMAOANPC1MAPK13
SCHEMBL4509576 0.84 AHR (0.56) KIF11PARP1MAOBCRBN
SCHEMBL18932523 0.84 MAOB (0.53) CA9MAOBMAOANPC1MAPK13
SCHEMBL18932517 0.83 MAOB (0.52) CA9MAOBMAOANPC1MAPK13

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020210785-A1 D3 RECEPTOR AGONIST COMPOUNDS; METHODS OF PREPARATION; INTERMEDIATES THEREOF; AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-10-15 WO disclosed
WO-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 WO disclosed
WO-2015166398-A1 3H-IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-11-05 WO disclosed
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-03-12 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
US-8349860-B2 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2013-01-08 US disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors NOLTE BERT 2008-07-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
WO-2008002671-A2 METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-01-03 WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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 (11 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 CA9 836/4885KIF11 3334/4885PARP1 661/4885
US-20080176870-A1 Heterobicyclic metalloprotease inhibitors ADAM17, ADAM8, ADAM10 CA9 288/4885KIF11 4747/4885PARP1 496/4885
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU CA9 4735/4885KIF11 2709/4885PARP1 774/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK CA9 4738/4885KIF11 1587/4885PARP1 3745/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 CA9 4870/4885KIF11 1823/4885PARP1 3006/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA9 226/4885KIF11 3567/4885PARP1 326/4885
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA9 224/4885KIF11 2532/4885PARP1 156/4885
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 CA9 310/4885KIF11 2754/4885PARP1 176/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 CA9 199/4885KIF11 3909/4885PARP1 320/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA9 226/4885KIF11 3567/4885PARP1 326/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 CA9 343/4885KIF11 2299/4885PARP1 272/4885

“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.