SCHEMBL18557779

SCHEMBL18557779

CC(C)CN/C(=N/C(=O)c1cccc(F)c1)Nc1cc(-c2cc(F)cc(F)c2)n[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALPL P05186 3/20 0.36
ROCK1 Q13464 2/20 0.35
ROCK2 O75116 1/20 0.35
ACR P10323 1/20 0.34
XPO1 O14980 1/20 0.34
DYRK1A Q13627 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
CTSL P07711 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
GSK3B P49841 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL18558434 0.93 HDAC3 (0.39) GPR139GAAKMT2AHSD17B10ALPL
SCHEMBL18558338 0.89 GPR139 (0.38) GPR139GAAKMT2AHSD17B10ALPL
SCHEMBL18558413 0.89 HDAC3 (0.39) ALPLACRHDAC1HDAC6
SCHEMBL18558468 0.89 ALPL (0.38) ALPLACRDYRK1AHDAC1HDAC6
SCHEMBL18558415 0.88 ALPL (0.41) ALPLDYRK1AHDAC1HDAC6GSK3B
SCHEMBL18558360 0.87 ADORA3 (0.38) GPR139KMT2AALPLROCK1ROCK2
SCHEMBL18558105 0.87 ALPL (0.43) ALPLACRHDAC1HDAC6LMNA
SCHEMBL18558199 0.85 SNCA (0.35) ALPLACRHDAC1HDAC6
SCHEMBL18558507 0.84 ALPL (0.38) GPR139ALPLACRDYRK1AHDAC1
SCHEMBL19362704 0.84 HPGD (0.39) ROCK1ROCK2XPO1ADRB2ADRB1

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 GPR139 4205/4885GAA 298/4885KMT2A 3948/4885

“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.