SCHEMBL16769269

SCHEMBL16769269

COC[C@H](C)N/C(=N/C(=O)c1ccc(O)cc1)Nc1n[nH]c2cc(F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.44
HDAC6 Q9UBN7 2/20 0.43
GSK3B P49841 4/20 0.43
MAPK1 P28482 10/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR3 P22607 1/20 0.41
CYP1A2 P05177 1/20 0.39
RIPK1 Q13546 1/20 0.39
PIK3CD O00329 1/20 0.39
PIM1 P11309 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3A P49840 1/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL16752823 1.00 MAP2K4 (0.44) MAP2K4HDAC6GSK3BMAPK1FGFR1
SCHEMBL16752820 1.00 MAP2K4 (0.44) MAP2K4HDAC6GSK3BMAPK1FGFR1
SCHEMBL16752817 1.00 MAP2K4 (0.44) MAP2K4HDAC6GSK3BMAPK1FGFR1
SCHEMBL16769268 0.93 MAP2K4 (0.44) MAP2K4HDAC6GSK3BMAPK1CYP1A2
SCHEMBL16771467 0.89 GSK3B (0.43) MAP2K4HDAC6GSK3BMAPK1CYP1A2
SCHEMBL16752826 0.88 GSK3B (0.51) GSK3BMAPK1
SCHEMBL16752828 0.88 GSK3B (0.51) GSK3BMAPK1
SCHEMBL19976770 0.84 MAPK1 (0.38) MAP2K4MAPK1CDK2
SCHEMBL19976745 0.84 GSK3B (0.45) MAP2K4HDAC6GSK3BMAPK1FGFR1
SCHEMBL16769263 0.83 MAPK1 (0.41) HDAC6GSK3BMAPK1FGFR1FGFR2

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 MAP2K4 3362/4885HDAC6 963/4885GSK3B 3708/4885

“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.