SCHEMBL13054652

SCHEMBL13054652

Cc1cc(Nc2cc(C(=O)N3CCN(C)CC3)nc(Sc3ccc4c(=O)[nH][nH]c4c3)n2)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.51
AURKB Q96GD4 14/20 0.51
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
NTRK1 P04629 2/20 0.49
PAK4 O96013 2/20 0.49
RIPK1 Q13546 2/20 0.49
PLK4 O00444 2/20 0.49
AURKC Q9UQB9 2/20 0.49
BMPR1B O00238 1/20 0.49
STK25 O00506 1/20 0.49
RIOK3 O14730 1/20 0.49
CHEK1 O14757 1/20 0.49
GAK O14976 1/20 0.49
MUSK O15146 1/20 0.49
EPHB6 O15197 1/20 0.49
PDPK1 O15530 1/20 0.49
MAP3K13 O43283 1/20 0.49
DAPK3 O43293 1/20 0.49
MAP3K7 O43318 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
SCHEMBL13054624 0.85 AURKA (0.68) AURKAAURKBABL1BCRNTRK1
SCHEMBL13054649 0.85 AURKB (0.49) AURKAAURKBABL1BCRAURKC
SCHEMBL13054650 0.84 AURKB (0.48) AURKAAURKBABL1BCRPLK4
SCHEMBL12430847 0.80 AURKB (0.77) AURKAAURKBABL1BCRNTRK1
SCHEMBL13054657 0.79 AURKB (0.44) AURKAAURKBABL1BCRSRC
SCHEMBL13054643 0.79 AURKB (0.46) AURKAAURKBABL1BCRIGF1R
SCHEMBL13054631 0.78 AURKA (0.59) AURKAAURKBNTRK1SRC
SCHEMBL13054701 0.76 AURKB (0.45) AURKAAURKBABL1BCRNTRK1
SCHEMBL13054628 0.76 AURKA (0.63) AURKAAURKBNTRK1AURKCSRC
SCHEMBL13054611 0.76 AURKA (0.49) AURKAAURKBNTRK1AURKCSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-7842712-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-30 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-02-19 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 US disclosed
US-7262200-B2 Indazolinone compositions useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-08-28 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-20090048250-A1 INDAZOLINONE COMPOSITIONS USEFUL AS KINASE INHIBITORS LCK, CDK2, MKNK2 AURKA 10/4885AURKB 18/4885ABL1 196/4885

“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.