SCHEMBL802158

SCHEMBL802158

Cc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(C(=O)CN)cc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 18/20 0.56
AURKB Q96GD4 8/20 0.56
SRC P12931 2/20 0.56
GSK3B P49841 2/20 0.56
EIF2AK2 P19525 1/20 0.56
GSK3A P49840 1/20 0.56
RORC P51449 1/20 0.49
MAPK14 Q16539 1/20 0.49

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
SCHEMBL12619259 0.87 AURKA (0.58) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL13963094 0.81 AURKA (0.70) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802209 0.80 AURKA (0.82) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL801563 0.79 AURKA (0.73) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802544 0.79 AURKA (0.60) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL12653547 0.79 AURKA (0.60) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802152 0.78 AURKA (0.76) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802151 0.74 AURKA (0.76) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL29435815 0.73 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL462877 0.73 AURKA (1.00) AURKAAURKBSRCGSK3BEIF2AK2

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 AURKA 8/4885AURKB 19/4885SRC 208/4885

“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.