SCHEMBL18558596

SCHEMBL18558596

CC(C)(C)N/C(=N/C(=O)c1cccc(C(F)(F)F)c1)Nc1cc(-c2cccc(Cl)c2)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.42
BRAF P15056 1/20 0.42
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CNR1 P21554 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
CES2 O00748 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.37
ACR P10323 1/20 0.36

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
SCHEMBL18558235 0.92 MAPT (0.43) RAF1BRAFMAPTHTTMAPK1
SCHEMBL18558394 0.92 RAF1 (0.39) RAF1BRAFMAPK1ACR
SCHEMBL18558154 0.92 GRM5 (0.42) RAF1ALDH1A1SMN1; SMN2GRM5
SCHEMBL18558126 0.89 RAB9A (0.38) RAF1MAPTHTTMEN1ALDH1A1
SCHEMBL17089616 0.88 RAF1 (0.42) RAF1BRAFMAPTCNR1MEN1
SCHEMBL18558230 0.88 ADCY8 (0.42) RAF1BRAFMAPTMAPK1KCNQ3
SCHEMBL18558156 0.87 MAPT (0.36) RAF1MAPTHTTMAPK1GRM5
SCHEMBL18558387 0.87 RAF1 (0.41) RAF1MAPTHTTGRM5
SCHEMBL18558388 0.86 MAPT (0.39) RAF1MAPTHTTGRM5
SCHEMBL18557825 0.85 ALPL (0.38) RAF1BRAFHTTMAPK1GRM5

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-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-9580388-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2017-02-28 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 RAF1 420/4885BRAF 968/4885MAPT 3530/4885

“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.