SCHEMBL351617

SCHEMBL351617

COc1ccc(Cl)cc1CNC(=O)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
ABCB1 P08183 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PDE4B Q07343 2/20 0.36
PDE4D Q08499 1/20 0.36
WDR5 P61964 2/20 0.36
MAPT P10636 2/20 0.36
PRLHR P49683 1/20 0.36
LMNA P02545 1/20 0.35
EPHX2 P34913 1/20 0.35
PKM P14618 1/20 0.35
ENPP2 Q13822 1/20 0.35
ATXN2 Q99700 1/20 0.35

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
SCHEMBL350550 0.90 ALDH1A1 (0.43) ROCK2ROCK1NPC1MAPTLMNA
SCHEMBL349743 0.90 ENPP2 (0.37) ROCK2ROCK1MAPK1PRLHRLMNA
SCHEMBL16817235 0.88 NPC1 (0.36) ROCK2ROCK1ABCB1MAPK1NPC1
SCHEMBL350051 0.87 ROCK2 (0.39) ROCK2ROCK1LMNAEPHX2ENPP2
SCHEMBL351334 0.86 MAPK10 (0.41) MAPTPRLHRENPP2ATXN2
SCHEMBL351354 0.84 ENPP2 (0.47) WDR5ENPP2ATXN2
SCHEMBL349265 0.82 MAPT (0.41) ROCK2ROCK1NPC1MAPTENPP2
SCHEMBL351126 0.81 ITGB2 (0.39) PRLHRENPP2ATXN2
SCHEMBL350566 0.80 USP30 (0.38) ROCK2PRLHRLMNAENPP2ATXN2
SCHEMBL352127 0.80 MAPK1 (0.44) ABCB1MAPK1NPC1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP claimed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US claimed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US claimed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US claimed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US claimed
EP-2414346-B1 AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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 (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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ROCK2 1325/4885ROCK1 752/4885ABCB1 4618/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ROCK2 1325/4885ROCK1 752/4885ABCB1 4618/4885

“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.