SCHEMBL351126

SCHEMBL351126

CC(CNC(=O)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.39
ICAM1 P05362 12/20 0.39
ITGAL P20701 12/20 0.39
PRLHR P49683 6/20 0.36
GRM1 Q13255 1/20 0.36
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
SCHEMBL16817275 0.87 PRLHR (0.37) ITGB2ICAM1ITGALPRLHR
SCHEMBL351334 0.86 MAPK10 (0.41) PRLHRENPP2ATXN2
SCHEMBL349265 0.85 MAPT (0.41) ENPP2ATXN2
SCHEMBL351354 0.83 ENPP2 (0.47) ENPP2ATXN2
SCHEMBL349743 0.83 ENPP2 (0.37) ITGB2ICAM1ITGALPRLHRENPP2
SCHEMBL350051 0.81 ROCK2 (0.39) ENPP2ATXN2
SCHEMBL351617 0.81 ROCK2 (0.38) PRLHRENPP2ATXN2
SCHEMBL349893 0.81 ROCK2 (0.40) ITGB2ICAM1ITGALPRLHRENPP2
SCHEMBL352127 0.80 MAPK1 (0.44) ENPP2ATXN2
SCHEMBL348821 0.79 PARP1 (0.40) 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 ITGB2 4307/4885ICAM1 1979/4885ITGAL 3359/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ITGB2 4307/4885ICAM1 1979/4885ITGAL 3359/4885

“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.