SCHEMBL6488359

SCHEMBL6488359

Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3)c(-c3ccoc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.49
GSK3B P49841 4/20 0.45
PRMT5 O14744 2/20 0.44
GSTP1 P09211 2/20 0.43
XDH P47989 1/20 0.41
GAA P10253 2/20 0.40
TTK P33981 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
NTRK1 P04629 1/20 0.39
PIM1 P11309 3/20 0.39
MAPT P10636 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK2 O60674 3/20 0.39
CDC7 O00311 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
SCHEMBL6491284 0.90 IKBKE (0.58) IKBKEGSK3BPRMT5GSTP1XDH
SCHEMBL6488370 0.89 IKBKE (0.57) IKBKEGSK3BPRMT5GSTP1XDH
SCHEMBL6479422 0.84 IKBKE (0.48) IKBKEGSK3BPRMT5GSTP1XDH
SCHEMBL6489684 0.84 IKBKE (0.55) IKBKEGSK3BPRMT5GSTP1XDH
SCHEMBL6491022 0.81 IKBKE (0.54) IKBKEGSK3BPRMT5GSTP1XDH
SCHEMBL6478270 0.81 GSK3B (0.63) IKBKEGSK3BPRMT5GSTP1JAK2
SCHEMBL6489550 0.81 CYP11B1 (0.51) IKBKEGSK3BPRMT5GSTP1TTK
SCHEMBL6479257 0.80 GSK3B (0.75) GSK3BCDK2
SCHEMBL6479759 0.77 JAK2 (0.67) IKBKEGSK3BPRMT5GSTP1XDH
SCHEMBL11963403 0.74 IKBKE (0.54) IKBKEGSK3BPRMT5GAATTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US claimed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 US claimed
EP-1487804-B1 AMINOINDAZOLE DERIVATIVES AS PROTEIN-KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2014-02-26 EP disclosed
US-6949579-B2 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2005-09-27 US disclosed
US-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof AVENTIS PHARMA S.A. (FR) 2004-01-22 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-20040014802-A1 Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof CYP2C8, NR0B2, NR2C2 IKBKE 2188/4885GSK3B 2342/4885PRMT5 438/4885

“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.