SCHEMBL18558451

SCHEMBL18558451

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.36
GPR139 Q6DWJ6 1/20 0.35
VNN1 O95497 6/20 0.35
GRM5 P41594 1/20 0.34

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
SCHEMBL18558081 0.94 MAPK1 (0.37) MAPK1GPR139VNN1GRM5
SCHEMBL18558452 0.91 GPR139 (0.35) MAPK1GPR139VNN1GRM5
SCHEMBL18558074 0.89 CNR1 (0.40) MAPK1GPR139VNN1GRM5
SCHEMBL18558338 0.88 GPR139 (0.38) MAPK1GPR139VNN1GRM5
SCHEMBL18558455 0.87 VNN1 (0.35) MAPK1VNN1GRM5
SCHEMBL18558028 0.87 VNN1 (0.39) MAPK1GPR139VNN1GRM5
SCHEMBL19362692 0.83 GRM5 (0.41) VNN1GRM5
SCHEMBL19362653 0.82 VNN1 (0.38) MAPK1GPR139VNN1
SCHEMBL18558360 0.82 ADORA3 (0.38) MAPK1GPR139
SCHEMBL18558512 0.82 S1PR1 (0.40) MAPK1GPR139VNN1GRM5

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 MAPK1 2483/4885GPR139 4205/4885VNN1 2342/4885

“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.