SCHEMBL9939797

SCHEMBL9939797

CCOC(=O)Nc1cccc(N/C(=N\C(=O)c2ccc(F)c(F)c2)NCc2ccc(Cl)cc2F)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK3 O43781 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
P2RX7 Q99572 5/20 0.34
BDKRB1 P46663 1/20 0.34
PTGER1 P34995 1/20 0.34
POLB P06746 2/20 0.34
GRM5 P41594 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9939770 0.81 RXFP1 (0.38) ROCK2ROCK1MAPK1RXFP1P2RX7
SCHEMBL9939678 0.80 ROCK2 (0.41) ROCK2ROCK1MAPK1RXFP1P2RX7
SCHEMBL9924064 0.79 CHRM1 (0.40) ROCK2ROCK1LMNAHTTP2RX7
SCHEMBL9939794 0.77 MAPT (0.42) MAPK1LMNANPSR1MEN1KMT2A
SCHEMBL9938519 0.76 VNN1 (0.37) ROCK2ROCK1RXFP1P2RX7VNN1
SCHEMBL9939489 0.75 SMN1; SMN2 (0.39) ROCK2ROCK1LMNAKMT2AMAPT
SCHEMBL9920704 0.75 ROCK2 (0.40) ROCK2ROCK1MAPK1P2RX7MAPT
SCHEMBL9939441 0.75 LMNA (0.42) LMNANPSR1MEN1KMT2AHTT
SCHEMBL9939182 0.75 MAOB (0.40) ROCK2ROCK1MAPK1
SCHEMBL9939397 0.74 IDH1 (0.40) ROCK2ROCK1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
US-9370507-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2016-06-21 US disclosed
EP-2648710-B1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2016-06-15 EP disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-11-26 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
US-9000014-B2 Pyridonyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-04-07 US disclosed
WO-2012078869-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO 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 (1 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-20150335625-A1 PYRIDONYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1B ROCK2 1728/4885ROCK1 1135/4885DYRK3 4512/4885

“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.