SCHEMBL9920705

SCHEMBL9920705

CC(N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1cc(C(F)(F)F)[nH]n1)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
ROCK2 O75116 5/20 0.38
ROCK1 Q13464 5/20 0.38
ALOX15 P16050 1/20 0.37
MAPK14 Q16539 1/20 0.36
CYP2D6 P10635 2/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PDE2A O00408 2/20 0.34
CTSA P10619 2/20 0.34
IDO1 P14902 1/20 0.33
SCN1A P35498 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
RET P07949 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33

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
SCHEMBL9920668 0.92 MAPK1 (0.42) MAPK3MAPK1ROCK2ROCK1ALOX15
SCHEMBL9921009 0.90 MAPK3 (0.44) MAPK3MAPK1ROCK2ROCK1ALOX15
SCHEMBL9920823 0.87 MAPK1 (0.42) MAPK1NPC1MAPTRAB9ARET
SCHEMBL9920924 0.87 MAPK1 (0.42) MAPK1NPC1MAPTRAB9ARET
SCHEMBL9920709 0.87 MAPK1 (0.42) MAPK1NPC1MAPTRAB9ARET
SCHEMBL9920683 0.80 MAPK1 (0.44) MAPK1CYP2D6NPC1MAPTRAB9A
SCHEMBL9920651 0.78 MAPK1 (0.44) MAPK3MAPK1ROCK2ROCK1CYP2D6
SCHEMBL19362787 0.78 HDAC4 (0.35) MAPK1ROCK2ROCK1MAPK14CYP2D6
SCHEMBL9920711 0.78 ALOX15 (0.43) ROCK2ROCK1ALOX15
SCHEMBL18162905 0.78 CYP2D6 (0.52) ALOX15CYP2D6NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
US-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-09-21 US disclosed
EP-2648511-B1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2017-06-28 EP disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
WO-2012078874-A1 PYRAZOLYL 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-20170267643-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5F1D, ATP5ME MAPK3 3359/4885MAPK1 2483/4885ROCK2 1467/4885

“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.