SCHEMBL16769262

SCHEMBL16769262

COC[C@H](C)N/C(=N/C(=O)c1ccc(F)c(F)c1)Nc1n[nH]c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
MAP2K4 P45985 1/20 0.43
TRPA1 O75762 1/20 0.42
MAPK1 P28482 6/20 0.41
HDAC6 Q9UBN7 5/20 0.40
LMNA P02545 1/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
HPGD P15428 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38

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
SCHEMBL16752841 1.00 GSK3B (0.46) GSK3BMAP2K4TRPA1MAPK1HDAC6
SCHEMBL16752844 1.00 GSK3B (0.46) GSK3BMAP2K4TRPA1MAPK1HDAC6
SCHEMBL16752848 1.00 GSK3B (0.46) GSK3BMAP2K4TRPA1MAPK1HDAC6
SCHEMBL16769263 0.92 MAPK1 (0.41) GSK3BMAPK1HDAC6FGFR1FGFR2
SCHEMBL16752811 0.89 GSK3B (0.48) GSK3BMAP2K4TRPA1MAPK1HDAC6
SCHEMBL16752809 0.89 GSK3B (0.48) GSK3BMAP2K4TRPA1MAPK1HDAC6
SCHEMBL16752808 0.89 GSK3B (0.48) GSK3BMAP2K4TRPA1MAPK1HDAC6
Sulfuric Acid SCHEMBL16752805 0.86 GSK3B (0.45) GSK3BMAP2K4TRPA1MAPK1HDAC6
Sulfuric Acid SCHEMBL16752806 0.86 GSK3B (0.45) GSK3BMAP2K4TRPA1MAPK1HDAC6
SCHEMBL19976776 0.84 GSK3B (0.48) GSK3BMAP2K4TRPA1MAPK1HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 US disclosed
US-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2015-06-04 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-20150152063-A1 INDAZOLE GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D GSK3B 3708/4885MAP2K4 3362/4885TRPA1 3822/4885

“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.