SCHEMBL4494624

SCHEMBL4494624

CC(=O)NCCNC(=O)Nc1n[nH]c2cc(-c3cccc(C)c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.53
AAK1 Q2M2I8 5/20 0.53
HDAC6 Q9UBN7 2/20 0.50
CYP1A2 P05177 1/20 0.48
GSK3A P49840 2/20 0.48
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48
FGFR3 P22607 1/20 0.48
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
ABL1 P00519 1/20 0.47

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
SCHEMBL12886381 0.92 GSK3B (0.52) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4480187 0.90 GSK3B (0.59) GSK3BHDAC6CYP1A2FGFR1FGFR2
SCHEMBL4558529 0.90 GSK3B (0.65) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4488734 0.89 GSK3B (0.53) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4498152 0.88 GSK3B (0.52) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4502574 0.88 GSK3B (0.57) GSK3BHDAC6CYP1A2FGFR1FGFR2
SCHEMBL4488792 0.88 AAK1 (0.68) GSK3BAAK1CYP1A2FGFR2FGFR3
SCHEMBL4505096 0.88 GSK3B (0.51) GSK3BAAK1HDAC6CYP1A2GSK3A
SCHEMBL4487384 0.87 HDAC1 (0.64) AAK1HDAC6CYP1A2FGFR1FGFR2
SCHEMBL4494405 0.87 GSK3B (0.55) GSK3BAAK1HDAC6CYP1A2GSK3A

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-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 US disclosed
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 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-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 GSK3B 5/4885AAK1 441/4885HDAC6 346/4885

“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.