SCHEMBL13220978

SCHEMBL13220978

CC(=O)Nc1ccc(Nc2nc(Sc3cc(C)[nH]n3)cc3cncn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 8/20 0.42
▸ AURKB Q96GD4 6/20 0.42
▸ LCK P06239 2/20 0.39
▸ SRC P12931 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ AURKC Q9UQB9 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.38
▸ SYK P43405 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ BRAF P15056 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL13220967 0.88 AURKA (0.44) AURKAAURKBLCKSRCGSK3B
SCHEMBL13220962 0.86 AURKA (0.55) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13324827 0.74 AURKB (0.61) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13220964 0.69 AURKB (0.57) AURKAAURKBSRCGSK3BAURKC
SCHEMBL3044546 0.69 AURKB (0.60) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13220986 0.68 AURKB (0.60) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13221253 0.66 AURKB (0.54) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13220972 0.65 AURKB (0.45) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13220956 0.65 AURKB (0.57) AURKAAURKBSRCGSK3BAURKC
SCHEMBL13220975 0.65 AURKA (0.54) 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 122/4885LCK 101/4885

“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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