SCHEMBL9920667

SCHEMBL9920667

O=C(/N=C(/NCc1ccc(Cl)c(F)c1)Nc1cc(C(F)(F)F)[nH]n1)c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.37
PPARG P37231 3/20 0.36
MAPK1 P28482 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
P2RX7 Q99572 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
CNR2 P34972 1/20 0.35
GSK3B P49841 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PPARA Q07869 1/20 0.34
CYP2D6 P10635 1/20 0.34
WDR5 P61964 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
SCHEMBL9921004 0.94 PTGER4 (0.37) PTGER4PPARGMAPK1TP53ALOX15
SCHEMBL9920703 0.94 PPARG (0.40) PTGER4PPARGMAPK1MAPTTP53
SCHEMBL9920682 0.94 MAPK1 (0.42) PTGER4PPARGMAPK1MAPTTP53
SCHEMBL9921095 0.92 MAPK1 (0.41) PTGER4PPARGMAPK1ALOX15P2RX7
SCHEMBL19041587 0.90 P2RX7 (0.37) PTGER4MAPK1ALOX15P2RX7ROCK2
SCHEMBL19041447 0.89 GSK3B (0.37) PPARGMAPK1MAPTTP53ALOX15
SCHEMBL9921006 0.89 MAPK1 (0.41) PTGER4MAPK1MAPTTP53ALOX15
SCHEMBL9920712 0.88 MAPK1 (0.42) PTGER4PPARGMAPK1ALOX15P2RX7
SCHEMBL9920650 0.85 ROCK2 (0.41) MAPK1MAPTALOX15P2RX7NPC1
SCHEMBL9920666 0.84 ALOX15 (0.44) MAPTALOX15P2RX7NPC1RAB9A

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 PTGER4 2910/4885PPARG 1755/4885MAPK1 2483/4885

“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.