SCHEMBL9920932

SCHEMBL9920932

CC(N/C(=N\C(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)n[nH]1)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.45
MAPK3 P27361 2/20 0.45
TRPV1 Q8NER1 4/20 0.41
CASR P41180 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
WDR5 P61964 1/20 0.38
MDM2 Q00987 2/20 0.37

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
SCHEMBL9920696 0.86 NPSR1 (0.39) TRPV1
SCHEMBL19041548 0.82 LMNA (0.36)
SCHEMBL9921121 0.82 IDO1 (0.38) MAPK1
SCHEMBL15479568 0.82 ROCK2 (0.42) MAPK1MAPK3TRPV1CASRROCK2
SCHEMBL9920910 0.80 HTT (0.41) MAPK1
SCHEMBL9920651 0.79 MAPK1 (0.44) MAPK1MAPK3ROCK2ROCK1WDR5
SCHEMBL9921034 0.79 HDAC6 (0.39) MAPK1TRPV1
SCHEMBL9920700 0.79 MAPK1 (0.38) MAPK1MDM2
SCHEMBL9920873 0.76 HPGD (0.39) MAPK1
SCHEMBL9920868 0.76 NR1H4 (0.37) MAPK1MAPK3

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 6 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-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-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 MAPK1 2483/4885MAPK3 3359/4885TRPV1 3419/4885

“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.