SCHEMBL349743

SCHEMBL349743

O=C(NCc1cc(Cl)ccc1Cl)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.37
ATXN2 Q99700 4/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
LMNA P02545 1/20 0.36
P2RX7 Q99572 1/20 0.35
MAPK10 P53779 3/20 0.34
MAPK8 P45983 2/20 0.34
MAPK3 P27361 1/20 0.34
MAPK1 P28482 1/20 0.34
ITGB2 P05107 3/20 0.34
ICAM1 P05362 3/20 0.34
ITGAL P20701 3/20 0.34
EPHX2 P34913 2/20 0.34
DDR1 Q08345 2/20 0.33
PRLHR P49683 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL350051 0.91 ROCK2 (0.39) ENPP2ATXN2ROCK2ROCK1LMNA
SCHEMBL351617 0.90 ROCK2 (0.38) ENPP2ATXN2ROCK2ROCK1LMNA
SCHEMBL351334 0.90 MAPK10 (0.41) ENPP2ATXN2MAPK10MAPK8PRLHR
SCHEMBL351354 0.88 ENPP2 (0.47) ENPP2ATXN2MAPK10MAPK8
SCHEMBL16817212 0.87 ENPP2 (0.34) ENPP2ATXN2ROCK2ROCK1P2RX7
SCHEMBL349265 0.85 MAPT (0.41) ENPP2ATXN2ROCK2ROCK1
SCHEMBL348821 0.83 PARP1 (0.40) ENPP2ATXN2
SCHEMBL350566 0.83 USP30 (0.38) ENPP2ATXN2ROCK2LMNAP2RX7
SCHEMBL352127 0.83 MAPK1 (0.44) ENPP2ATXN2LMNAMAPK1
SCHEMBL350550 0.83 ALDH1A1 (0.43) ROCK2ROCK1LMNA

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 ENPP2 1/4885ATXN2 601/4885ROCK2 1325/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ENPP2 1/4885ATXN2 601/4885ROCK2 1325/4885

“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.