SCHEMBL1753387

SCHEMBL1753387

COc1ccc(CNc2nccc(-c3ccc(-c4nc5c(c(S(C)(=O)=O)nn5-c5ccccc5)c(=O)n4-c4ccc(Cl)cc4)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.53
DYRK1A Q13627 3/20 0.53
DYRK1B Q9Y463 3/20 0.53
CLK1 P49759 2/20 0.53
CLK2 P49760 2/20 0.53
ACP1 P24666 1/20 0.41
ABCB1 P08183 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
ALDH1A1 P00352 3/20 0.40
JAK2 O60674 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
CYP2D6 P10635 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL1753057 0.88 CLK4 (0.54) CLK4DYRK1ADYRK1BCLK1CLK2
SCHEMBL1688985 0.83 MAPT (0.42) ALDH1A1HPGDNPSR1MEN1USP2
SCHEMBL1688912 0.82 MAPT (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL1753271 0.78 MAPT (0.46) ALDH1A1HPGDNPSR1MEN1KMT2A
SCHEMBL4167532 0.76 MAPT (0.52) ALDH1A1KDM4EHPGDNPSR1KMT2A
SCHEMBL4164853 0.76 MAPT (0.45) ALDH1A1KDM4EHPGDNPSR1MEN1
SCHEMBL4159236 0.76 MAPT (0.43) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL4170521 0.76 MAPT (0.43) ALDH1A1KDM4EHPGDMEN1USP2
SCHEMBL4174355 0.74 MAPT (0.44) ALDH1A1KDM4EHPGDMEN1USP2
SCHEMBL4164852 0.74 MAPT (0.44) ALDH1A1KDM4EHPGDMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2012-09-06 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-8158634-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC (BM) 2012-04-17 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-10-01 US disclosed
EP-1807429-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM, LLC (BM) 2007-07-18 EP disclosed
WO-2006047516-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2006-05-04 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 (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-20120225869-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CLK4 4400/4885DYRK1A 2619/4885DYRK1B 2760/4885
US-20090247517-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH CLK4 4400/4885DYRK1A 2619/4885DYRK1B 2760/4885

“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.