SCHEMBL351272

SCHEMBL351272

O=C(Nc1ccc2[nH]nnc2c1)c1[nH]nc2c1CCN(C(=O)OCc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.43
ATXN2 Q99700 5/20 0.43
TRPV1 Q8NER1 3/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
HTR2A P28223 1/20 0.37
ABAT P80404 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
FLT3 P36888 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 2/20 0.35
TRPV4 Q9HBA0 1/20 0.35
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
MMP1 P03956 1/20 0.35
MMP12 P39900 1/20 0.35
FAAH O00519 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 0.94 ENPP2 (0.42) ENPP2ATXN2TRPV1RAF1BRAF
SCHEMBL351111 0.87 PTGDR2 (0.39) ENPP2ATXN2TRPV1
SCHEMBL351914 0.87 ENPP2 (0.47) ENPP2ATXN2FLT3MEN1KMT2A
SCHEMBL350135 0.86 ENPP2 (0.41) ENPP2ATXN2FLT3
SCHEMBL351484 0.85 ENPP2 (0.37) ENPP2ATXN2FLT3MEN1KMT2A
SCHEMBL351757 0.85 PDE5A (0.38) ENPP2ATXN2TRPV1
SCHEMBL351658 0.80 ENPP2 (0.42) ENPP2ATXN2TRPV1HTR2AABAT
SCHEMBL18464202 0.73 ENPP2 (0.62) ENPP2ATXN2HTR2AABATSIGMAR1
SCHEMBL351894 0.71 MAPK10 (0.44) ENPP2ATXN2
SCHEMBL15552718 0.70 ENPP2 (0.80) ENPP2ATXN2HTR2AABATSIGMAR1

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.