SCHEMBL19954579

SCHEMBL19954579

CC(C)c1cc(C(F)(F)F)nn1C1CCN(CC(N)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.36
SFRP1 Q8N474 1/20 0.36
GAA P10253 1/20 0.35
ABL1 P00519 2/20 0.34
EGFR P00533 2/20 0.34
SRC P12931 2/20 0.34
ABL2 P42684 2/20 0.34
KMT2A Q03164 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
RORC P51449 3/20 0.33
USP2 O75604 1/20 0.32
CAMK1D Q8IU85 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
MET P08581 1/20 0.32
TACR1 P25103 3/20 0.32
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL19954655 0.91 GAA (0.36) NR3C2SFRP1GAAKMT2AUSP2
SCHEMBL18163946 0.85 GAA (0.43) NR3C2SFRP1GAAABL1EGFR
SCHEMBL19954593 0.85 GAA (0.35) NR3C2GAAKMT2AIRAK4USP2
SCHEMBL18161160 0.84 KDM5A (0.41) ABL1EGFRSRCABL2KMT2A
SCHEMBL19954595 0.83 IL1B (0.35) NR3C2GAAKMT2AUSP2TLR9
SCHEMBL19954591 0.83 MAPK1 (0.35) NR3C2GAAIRAK4TLR9TLR8
SCHEMBL21023768 0.83 POLB (0.33) NR3C2GAATLR9TLR8TLR7
SCHEMBL19954576 0.80 HTR2A (0.38) NR3C2GAAKMT2AIRAK4TACR1
SCHEMBL19954520 0.80 KDM5A (0.39) NR3C2TACR1
SCHEMBL19954568 0.79 IRAK4 (0.38) NR3C2GAAEGFRIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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 (2 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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D NR3C2 4324/4885SFRP1 4195/4885GAA 202/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D NR3C2 4324/4885SFRP1 4195/4885GAA 202/4885

“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.