SCHEMBL13933134

SCHEMBL13933134

C[C@@H](Nc1nccc(-c2cc(-c3nc4ccc(O)cc4[nH]3)c(=O)[nH]n2)n1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 1/20 0.42
▸ IDH1 O75874 11/20 0.42
▸ LCK P06239 3/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ SYK P43405 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ ITK Q08881 1/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL2638251 0.90 IDH1 (0.51) CBFBIDH1
SCHEMBL4848243 0.77 CAMK2D (0.47) IDH1MAPK14
SCHEMBL4848233 0.77 CAMK2D (0.47) IDH1MAPK14
SCHEMBL3536417 0.73 GSK3B (0.48) GSK3BSYK
SCHEMBL7022910 0.72 LCK (0.56) IDH1LCKSYKRPS6KB1
SCHEMBL3538590 0.72 GSK3B (0.47) GSK3B
SCHEMBL3541334 0.71 GSK3B (0.48) GSK3BSYK
SCHEMBL13312982 0.71 GSK3B (0.46) GSK3BSYK
SCHEMBL3536964 0.71 GSK3B (0.49) GSK3B
SCHEMBL3534156 0.70 GSK3B (0.48) GSK3B

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-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 — — US disclosed
US-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2009-02-12 — — 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-20090042880-A1 NOVEL 4-BENZIMIDAZOL-2-YLPYRIDAZIN-3-ONE DERIVATIVES CDK2, CDK1, CDK4 CBFB 2895/4885IDH1 475/4885LCK 432/4885

“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.

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