SCHEMBL18558455

SCHEMBL18558455

CC(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 9)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.35
GRM5 P41594 2/20 0.35
MAPK1 P28482 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL18558256 0.93 VNN1 (0.39) VNN1GRM5MAPK1
SCHEMBL18558203 0.88 VNN1 (0.39) VNN1GRM5IRAK4
SCHEMBL18558081 0.88 MAPK1 (0.37) VNN1GRM5MAPK1
SCHEMBL18558451 0.87 MAPK1 (0.36) VNN1GRM5MAPK1
SCHEMBL18558338 0.85 GPR139 (0.38) VNN1GRM5MAPK1
SCHEMBL18558452 0.84 GPR139 (0.35) VNN1GRM5MAPK1
SCHEMBL19362692 0.83 GRM5 (0.41) VNN1GRM5
SCHEMBL18558515 0.83 VNN1 (0.38) VNN1MAPK1
SCHEMBL18557827 0.83 CHRNA1 (0.35) VNN1
SCHEMBL18558233 0.83 MAPK1 (0.38) VNN1MAPK1

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 VNN1 2342/4885GRM5 1418/4885MAPK1 2483/4885

“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.