SCHEMBL19954580

SCHEMBL19954580

CC(C)c1cc(C(F)(F)F)nn1C1CCN(CCC#N)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
MAP3K12 Q12852 1/20 0.36
JAK1 P23458 4/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
TLR9 Q9NR96 2/20 0.35
MAPK1 P28482 1/20 0.34
JAK2 O60674 2/20 0.34
GSK3B P49841 9/20 0.33
ACACB O00763 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
SCHEMBL19954591 0.85 MAPK1 (0.35) MAP3K12TLR8TLR7TLR9MAPK1
SCHEMBL21023573 0.85 BTK (0.38) BTKMAP3K12JAK1TLR8TLR7
SCHEMBL18161157 0.84 TLR8 (0.39) BTKMAP3K12JAK1TLR8TLR7
SCHEMBL21023768 0.83 POLB (0.33) MAP3K12TLR8TLR7TLR9
SCHEMBL19954595 0.81 IL1B (0.35) MAP3K12TLR8TLR7TLR9
SCHEMBL19954655 0.80 GAA (0.36) TLR8TLR7TLR9GSK3B
SCHEMBL19954637 0.80 ALDH1A1 (0.34) MAP3K12
SCHEMBL19954664 0.78 MAPK1 (0.39) TLR8TLR7TLR9MAPK1
SCHEMBL19954579 0.78 NR3C2 (0.36) TLR8TLR7TLR9
SCHEMBL19954593 0.78 GAA (0.35)

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 BTK 2815/4885MAP3K12 1341/4885JAK1 4236/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D BTK 2815/4885MAP3K12 1341/4885JAK1 4236/4885

“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.