SCHEMBL13220975

SCHEMBL13220975

CC(=O)Nc1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc3nccn23)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 13/20 0.54
▸ AURKB Q96GD4 11/20 0.54
▸ SYK P43405 1/20 0.45
▸ SRC P12931 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ AURKC Q9UQB9 1/20 0.44
▸ TNIK Q9UKE5 2/20 0.43
▸ RIPK1 Q13546 4/20 0.42
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13220976 0.88 AURKA (0.57) AURKAAURKBSYKSRCGSK3B
SCHEMBL13220986 0.85 AURKB (0.60) AURKAAURKBSYKSRCGSK3B
SCHEMBL13324826 0.85 AURKB (0.63) AURKAAURKBSRCGSK3BAURKC
SCHEMBL5088387 0.78 CCNA2 (0.59) AURKAAURKBSYK
SCHEMBL13220913 0.75 SYK (0.37) AURKAAURKBSYK
SCHEMBL13220916 0.75 AURKB (0.58) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13220879 0.75 AURKB (0.49) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13221218 0.75 AURKA (0.49) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13221085 0.74 SRC (0.51) AURKAAURKBSYKSRCGSK3B
SCHEMBL13221215 0.74 AURKB (0.50) AURKAAURKBSRCGSK3BAURKC

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 4 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

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 122/4885SYK 395/4885

“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.

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