SCHEMBL802026

SCHEMBL802026

Cc1cc(Nc2cc(-c3ccccc3C)nc3ccccc23)n[nH]1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.76
GSK3A P49840 2/20 0.76
AURKA O14965 12/20 0.52
SRC P12931 6/20 0.52
AURKB Q96GD4 6/20 0.52
EIF2AK2 P19525 1/20 0.52
SLC2A1 P11166 1/20 0.50
NTRK1 P04629 4/20 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
SCHEMBL801631 0.88 GSK3B (0.72) GSK3BGSK3AAURKASRCAURKB
SCHEMBL10266332 0.88 GSK3B (0.72) GSK3BGSK3AAURKASRCAURKB
SCHEMBL801656 0.88 GSK3B (0.58) GSK3BGSK3AAURKASRCAURKB
SCHEMBL805533 0.86 GSK3B (0.69) GSK3BGSK3AAURKASRCAURKB
SCHEMBL802669 0.86 GSK3B (1.00) GSK3BGSK3AAURKASRCAURKB
SCHEMBL802320 0.84 GSK3B (0.55) GSK3BGSK3ASRCAURKBSLC2A1
SCHEMBL801861 0.81 GSK3A (0.50) GSK3BGSK3ASLC2A1
SCHEMBL801844 0.80 GSK3A (0.48) GSK3BGSK3ASLC2A1
SCHEMBL801846 0.78 AURKA (0.76) GSK3BGSK3AAURKASRCAURKB
SCHEMBL802732 0.77 GSK3B (0.56) GSK3BGSK3AAURKASRCAURKB

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 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-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885GSK3A 2/4885AURKA 8/4885

“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.