SCHEMBL13220985

SCHEMBL13220985

Cc1cc(Nc2nc(Sc3ccc(N)cc3)cc3nccn23)n[nH]1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 17/20 0.42
AURKB Q96GD4 14/20 0.42
GSK3B P49841 5/20 0.40
SRC P12931 4/20 0.40
NTRK1 P04629 1/20 0.37
EGFR P00533 1/20 0.36
ITK Q08881 1/20 0.35
AURKC Q9UQB9 3/20 0.35

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
SCHEMBL13221262 0.89 AURKA (0.39) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL13220910 0.89 AURKA (0.43) AURKAAURKBGSK3BSRCAURKC
SCHEMBL13221270 0.86 AURKA (0.43) AURKAAURKBGSK3BSRCITK
SCHEMBL13242481 0.85 AURKB (0.41) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL13221269 0.84 AURKA (0.42) AURKAAURKBGSK3BSRCAURKC
SCHEMBL13220986 0.84 AURKB (0.60) AURKAAURKBGSK3BSRCAURKC
SCHEMBL13221273 0.83 AURKA (0.40) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL13221316 0.83 AURKA (0.35) AURKAAURKBGSK3BSRCNTRK1
SCHEMBL13220920 0.83 AURKB (0.49) AURKAAURKBGSK3BSRCAURKC
SCHEMBL13220908 0.82 AURKB (0.39) AURKAAURKBGSK3BSRCNTRK1

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-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 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-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 AURKA 161/4885AURKB 122/4885GSK3B 200/4885

“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.