SCHEMBL6507804

SCHEMBL6507804

NC(=O)[C@@H](Cc1cccc(-c2n[nH]c3ccc(-c4cnn[nH]4)cc23)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.43
EPHX1 P07099 1/20 0.43
MAP2K4 P45985 2/20 0.40
MAPK1 P28482 1/20 0.40
AURKA O14965 2/20 0.40
MAP3K5 Q99683 1/20 0.40
CDK2 P24941 1/20 0.39
AKT1 P31749 1/20 0.39
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 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
SCHEMBL5380113 0.82 MAP3K5 (0.49) TTKEPHX1MAP2K4MAPK1MAP3K5
SCHEMBL5373154 0.82 MAP3K5 (0.49) TTKEPHX1MAP2K4MAPK1MAP3K5
SCHEMBL6509704 0.79 MAP2K4 (0.45) TTKMAP2K4MAPK1AURKAMAP3K5
SCHEMBL6502512 0.79 MAP2K4 (0.41) TTKMAP2K4MAPK1AURKAMAP3K5
SCHEMBL6508775 0.78 PIM1 (0.43) MAP2K4MAP3K5CLK2CLK3DYRK1A
SCHEMBL6501695 0.77 MAP3K5 (0.40) TTKMAP2K4MAPK1AURKAMAP3K5
SCHEMBL5375088 0.76 TTK (0.43) TTKEPHX1MAP2K4MAPK1MAP3K5
SCHEMBL4260207 0.67 EPHX1 (0.55) EPHX1MAPK1
SCHEMBL12825512 0.66 TTK (0.63) TTKAURKAAURKB
SCHEMBL1516139 0.65 EPHX1 (1.00) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 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-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R TTK 714/4885EPHX1 2793/4885MAP2K4 385/4885

“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.