SCHEMBL801502

SCHEMBL801502

Cc1cc(Nc2nc(-c3ccccc3C)nc3cnoc23)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 15/20 0.50
AURKB Q96GD4 7/20 0.50
SRC P12931 5/20 0.50
GSK3B P49841 5/20 0.50
EIF2AK2 P19525 1/20 0.50
GSK3A P49840 1/20 0.50
PLK4 O00444 2/20 0.42
PAK4 O96013 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IGF1R P08069 1/20 0.40

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
SCHEMBL10267534 0.87 AURKA (0.46) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL801846 0.81 AURKA (0.76) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL801504 0.78 AURKA (0.50) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802423 0.73 AURKA (0.71) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL13055018 0.73 AURKA (0.37) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL12653509 0.72 AURKA (0.54) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802519 0.70 AURKA (0.74) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802435 0.70 AURKA (0.82) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802012 0.70 AURKA (0.72) AURKAAURKBSRCGSK3BEIF2AK2
SCHEMBL802029 0.70 AURKA (0.72) 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 3 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
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 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.