SCHEMBL16769265

SCHEMBL16769265

Cc1cccc(C(=O)/N=C(/NCC(C)C)Nc2n[nH]c3cc(F)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.43
GSK3A P49840 1/20 0.41
MAP2K4 P45985 6/20 0.41
CYP1A2 P05177 1/20 0.40
DYRK1A Q13627 1/20 0.39
MAP2K7 O14733 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 2/20 0.38
RIPK1 Q13546 1/20 0.38
FGFR4 P22455 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
SCHEMBL16752864 0.91 GSK3B (0.46) GSK3BGSK3AMAP2K4CYP1A2DYRK1A
SCHEMBL16752862 0.91 GSK3B (0.46) GSK3BGSK3AMAP2K4CYP1A2DYRK1A
SCHEMBL16769266 0.91 GSK3B (0.46) GSK3BGSK3AMAP2K4CYP1A2DYRK1A
SCHEMBL19976821 0.90 HDAC6 (0.44) GSK3BGSK3AMAP2K4CYP1A2DYRK1A
SCHEMBL19976745 0.86 GSK3B (0.45) GSK3BGSK3AMAP2K4CYP1A2DYRK1A
SCHEMBL16771362 0.85 HDAC6 (0.46) GSK3BGSK3AMAP2K4CYP1A2MAP2K7
SCHEMBL16752827 0.84 FLT3 (0.48) GSK3BHDAC6FGFR1FGFR2FGFR3
SCHEMBL16752829 0.84 FLT3 (0.48) GSK3BHDAC6FGFR1FGFR2FGFR3
SCHEMBL16752825 0.84 FLT3 (0.48) GSK3BHDAC6FGFR1FGFR2FGFR3
SCHEMBL19976866 0.80 DYRK1A (0.42) GSK3BGSK3AMAP2K4CYP1A2DYRK1A

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 2 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-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 3708/4885GSK3A 3530/4885MAP2K4 3362/4885

“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.