SCHEMBL351658

SCHEMBL351658

O=C(Nc1ccc2[nH]nnc2c1)c1n[nH]c2c1CCN(C(=O)OCc1ccc(C(F)(F)F)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.42
ATXN2 Q99700 4/20 0.42
TRPV1 Q8NER1 5/20 0.41
FLT3 P36888 1/20 0.40
RBP4 P02753 3/20 0.37
HTR2A P28223 1/20 0.37
ABAT P80404 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
WNT1 P04628 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
SCHEMBL349969 0.82 ENPP2 (0.42) ENPP2ATXN2TRPV1FLT3HTR2A
SCHEMBL351272 0.80 ENPP2 (0.43) ENPP2ATXN2TRPV1FLT3HTR2A
SCHEMBL351914 0.80 ENPP2 (0.47) ENPP2ATXN2FLT3PTGDR2
SCHEMBL351484 0.79 ENPP2 (0.37) ENPP2ATXN2FLT3PTGDR2
SCHEMBL351111 0.77 PTGDR2 (0.39) ENPP2ATXN2TRPV1PTGDR2
SCHEMBL145635 0.77 HDAC1 (0.50) ENPP2ATXN2TRPV1HIF1AEPAS1
SCHEMBL2810678 0.76 ENPP2 (0.40) ENPP2ATXN2TRPV1FLT3HIF1A
SCHEMBL351757 0.75 PDE5A (0.38) ENPP2ATXN2TRPV1PTGDR2
SCHEMBL350135 0.75 ENPP2 (0.41) ENPP2ATXN2FLT3PTGDR2
SCHEMBL143425 0.74 SMN1; SMN2 (0.53) ENPP2ATXN2TRPV1HTR2AABAT

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 601/4885TRPV1 3023/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ENPP2 1/4885ATXN2 601/4885TRPV1 3023/4885

“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.