SCHEMBL351894

SCHEMBL351894

O=C(NCc1ccc(C(F)(F)F)cc1)c1[nH]nc2c1CCN(C(=O)c1ccc3[nH]nnc3c1)C2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 10/20 0.44
MAPK8 P45983 5/20 0.41
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
PRLHR P49683 2/20 0.40
NAMPT P43490 2/20 0.39
HDAC1 Q13547 2/20 0.37
KDM1A O60341 1/20 0.37
CYP2C9 P11712 1/20 0.37
LSS P48449 1/20 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
SCHEMBL350573 0.90 NAMPT (0.40) MAPK10MAPK8ENPP2ATXN2PRLHR
SCHEMBL350624 0.90 MAPK8 (0.46) MAPK10MAPK8ENPP2ATXN2NAMPT
SCHEMBL351334 0.90 MAPK10 (0.41) MAPK10MAPK8ENPP2ATXN2PRLHR
SCHEMBL350566 0.89 USP30 (0.38) MAPK10MAPK8ENPP2ATXN2PRLHR
SCHEMBL16817238 0.87 MAPK10 (0.42) MAPK10MAPK8ENPP2ATXN2PRLHR
SCHEMBL351354 0.86 ENPP2 (0.47) MAPK10MAPK8ENPP2ATXN2NAMPT
SCHEMBL351047 0.86 ENPP2 (0.34) MAPK10MAPK8ENPP2ATXN2NAMPT
SCHEMBL351618 0.83 RAB9A (0.41) NAMPT
SCHEMBL349265 0.82 MAPT (0.41) ENPP2ATXN2NAMPT
SCHEMBL349952 0.82 PARP1 (0.39) MAPK10MAPK8CYP2C9

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 18 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-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-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-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
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 MAPK10 1071/4885MAPK8 3052/4885ENPP2 1/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 MAPK10 1071/4885MAPK8 3052/4885ENPP2 1/4885

“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.