SCHEMBL17088964

SCHEMBL17088964

N#Cc1cccc(C(=O)/N=C(/NCc2ccc(F)cc2Cl)Nc2cc(C(F)(F)F)[nH]n2)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
P2RX7 Q99572 11/20 0.39
VNN1 O95497 3/20 0.39
EPHX2 P34913 2/20 0.38
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
ALOX5 P09917 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
SCHEMBL17088590 0.91 ALOX15 (0.41) ALOX15P2RX7EPHX2ROCK2ROCK1
SCHEMBL17088589 0.88 P2RX7 (0.44) ALOX15P2RX7ROCK2ROCK1
SCHEMBL9920858 0.88 ALOX15 (0.43) ALOX15P2RX7CYP2D6ROCK2ROCK1
SCHEMBL9920711 0.85 ALOX15 (0.43) ALOX15P2RX7ROCK2ROCK1
SCHEMBL9920666 0.85 ALOX15 (0.44) ALOX15P2RX7EPHX2ROCK2ROCK1
SCHEMBL9921005 0.84 ALOX15 (0.43) ALOX15P2RX7EPHX2ROCK2ROCK1
SCHEMBL9920857 0.84 ALOX15 (0.45) ALOX15P2RX7EPHX2ROCK2ROCK1
SCHEMBL9920836 0.83 P2RX7 (0.44) ALOX15P2RX7MAPK1ROCK2ROCK1
SCHEMBL9920835 0.82 ALOX15 (0.41) ALOX15P2RX7ROCK2ROCK1
SCHEMBL17088587 0.82 GRM5 (0.37) VNN1MAPK1CYP2D6

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 9 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

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 ALOX15 4300/4885P2RX7 93/4885VNN1 2342/4885

“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.