SCHEMBL2481350

SCHEMBL2481350

CC1(C)CN(CC=O)c2cc(N)ccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.38
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
XIAP P98170 1/20 0.31
BIRC2 Q13490 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
FSHR P23945 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL2912534 0.83 KMT2A (0.39) MAPK1KMT2AATAD2ALDH1A1MAPT
SCHEMBL2723741 0.82 SLC22A12 (0.38) SLC22A12NOTUMXIAPBIRC2
SCHEMBL2720836 0.78 ESPL1 (0.39) SLC22A12KDM4EALDH1A1LMNAMAPT
SCHEMBL447188 0.78 NOTUM (0.50) SLC22A12NOTUMKMT2ABIRC2LMNA
SCHEMBL11988460 0.74 DRD2 (0.36) KMT2AALDH1A1MAPT
SCHEMBL31481087 0.74 NOTUM (0.62) NOTUMXIAPBIRC2ATAD2FSHR
SCHEMBL31481108 0.74 NOTUM (0.62) NOTUMXIAPBIRC2ATAD2FSHR
SCHEMBL395606 0.74 NOTUM (0.62) NOTUMXIAPBIRC2ATAD2FSHR
SCHEMBL22346077 0.74 KMT2A (0.42) SLC22A12KMT2AKDM4EALDH1A1LMNA
SCHEMBL4000282 0.74 ALDH1A1 (0.35) NOTUMKMT2AFSHRKDM4EALDH1A1

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-2011072241-A9 4-OXO-1H-QUINOLINE-3-CARBOXAMIDES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-14 WO disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
EP-2376448-A2 IMPROVED METHOD FOR THE PREPARATION OF 1-ACETYL-6-AMINO-3,3-DIMETHYL-2,3-DIHYDROINDOLE Amgen, Inc (US) 2011-10-19 EP disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010071828-A2 IMPROVED METHOD FOR THE PREPARATION OF 1-ACETYL-6-AMINO-3,3-DIMETHYL-2,3-DIHYDROINDOLE AMGEN INC. (US) 2010-06-24 WO disclosed
EP-1885369-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2008-02-13 EP disclosed
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
EP-1773828-A1 HETEROCYCLE -SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2007-04-18 EP disclosed
WO-2006119504-A2 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2006010642-A1 HETEROCYCLE-SUBSTITUTED CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2006-02-02 WO disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 SLC22A12 3706/4885NOTUM 4070/4885MAPK1 38/4885

“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.