SCHEMBL9920704

SCHEMBL9920704

O=C(/N=C(/NCc1ccc(Cl)cc1F)Nc1cc(C(F)(F)F)[nH]n1)c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
MAPK1 P28482 1/20 0.39
VNN1 O95497 1/20 0.37
CYP2D6 P10635 2/20 0.36
EPHX2 P34913 3/20 0.34
KLKB1 P03952 1/20 0.34
ALOX15 P16050 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
P2RX7 Q99572 4/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
F2 P00734 1/20 0.33
MMP2 P08253 1/20 0.32

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
SCHEMBL9920650 0.95 ROCK2 (0.41) ROCK2ROCK1MAPK1VNN1CYP2D6
SCHEMBL9921008 0.92 VNN1 (0.40) ROCK2ROCK1MAPK1VNN1CYP2D6
SCHEMBL9920711 0.90 ALOX15 (0.43) ROCK2ROCK1ALOX15P2RX7
SCHEMBL19041447 0.89 GSK3B (0.37) MAPK1VNN1CYP2D6ALOX15NPC1
SCHEMBL9920712 0.86 MAPK1 (0.42) ROCK2ROCK1MAPK1CYP2D6ALOX15
SCHEMBL9920703 0.85 PPARG (0.40) ROCK2ROCK1MAPK1CYP2D6ALOX15
SCHEMBL9920817 0.84 ROCK2 (0.36) ROCK2ROCK1VNN1CYP2D6ALOX15
SCHEMBL9920666 0.84 ALOX15 (0.44) ROCK2ROCK1EPHX2ALOX15P2RX7
SCHEMBL9921095 0.81 MAPK1 (0.41) ROCK2ROCK1MAPK1ALOX15P2RX7
SCHEMBL9920682 0.81 MAPK1 (0.42) MAPK1CYP2D6ALOX15P2RX7NPC1

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 ROCK2 1467/4885ROCK1 849/4885MAPK1 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.