SCHEMBL349893

SCHEMBL349893

O=C(NC(CO)Cc1ccc(Cl)cc1)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
IRAK1 P51617 1/20 0.40
PRKX P51817 1/20 0.40
LIMK1 P53667 1/20 0.40
PRKG2 Q13237 1/20 0.40
ROCK1 Q13464 1/20 0.40
PRKG1 Q13976 1/20 0.40
PKN2 Q16513 1/20 0.40
HIPK4 Q8NE63 1/20 0.40
AURKB Q96GD4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
EGFR P00533 2/20 0.38
ITGB2 P05107 10/20 0.37
ICAM1 P05362 10/20 0.37
ITGAL P20701 10/20 0.37
PTGS2 P35354 1/20 0.36
ENPP2 Q13822 2/20 0.36

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
SCHEMBL16817248 0.87 PRLHR (0.35) ROCK2PRKACARPS6KB1IRAK1PRKX
SCHEMBL351334 0.86 MAPK10 (0.41) ENPP2ATXN2PRLHRMAPT
SCHEMBL349265 0.84 MAPT (0.41) ROCK2ROCK1ENPP2ATXN2MAPT
SCHEMBL351354 0.81 ENPP2 (0.47) ENPP2ATXN2
SCHEMBL351126 0.81 ITGB2 (0.39) ITGB2ICAM1ITGALENPP2ATXN2
SCHEMBL349743 0.79 ENPP2 (0.37) ROCK2ROCK1ITGB2ICAM1ITGAL
SCHEMBL348821 0.79 PARP1 (0.40) ENPP2ATXN2MAPTSMN1; SMN2
SCHEMBL350051 0.78 ROCK2 (0.39) ROCK2ROCK1ENPP2ATXN2
SCHEMBL352127 0.78 MAPK1 (0.44) ENPP2ATXN2MAPK1MAPTSMN1; SMN2
SCHEMBL349577 0.77 MTHFD2 (0.37) ENPP2ATXN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US claimed
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-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 1325/4885PRKACA 1688/4885RPS6KB1 3903/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ROCK2 1325/4885PRKACA 1688/4885RPS6KB1 3903/4885

“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.