SCHEMBL13399889

SCHEMBL13399889

CN(C)CCCOc1ccc(-c2nc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)c(C#N)cnc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.52
▸ AURKB Q96GD4 1/20 0.48
▸ NRP1 O14786 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ EP300 Q09472 1/20 0.39
▸ USP7 Q93009 1/20 0.38
▸ USP47 Q96K76 1/20 0.38
▸ PPARA Q07869 3/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37

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
SCHEMBL13399901 0.89 AURKA (0.55) AURKAAURKBHRH3USP7USP47
SCHEMBL13399888 0.87 CHEK1 (0.44) AURKAAURKBCHEK1EP300
SCHEMBL13399899 0.86 AURKA (0.52) AURKAAURKBNRP1HRH3CHEK1
SCHEMBL13399896 0.85 AURKA (0.55) AURKAAURKBHRH3PPARALTA4H
SCHEMBL13399894 0.85 AURKA (0.56) AURKAAURKBNRP1HRH3CHEK1
SCHEMBL13399915 0.81 AURKA (0.55) AURKAAURKBNRP1HRH3USP7
SCHEMBL13399903 0.81 AURKA (0.72) AURKAAURKBNRP1HRH3CHEK1
SCHEMBL13399898 0.81 AURKA (0.69) AURKAAURKBCHEK1
SCHEMBL13399905 0.77 AURKA (0.56) AURKAAURKBNRP1HRH3USP7
SCHEMBL13399854 0.77 AURKA (0.62) AURKAAURKB

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-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 — — US disclosed
US-9006252-B2 Fused multicyclic compounds as protein kinase inhibitors NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2015-04-14 — — US disclosed
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 — — EP disclosed
WO-2010036629-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 — — WO disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 — — US disclosed
US-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2010-04-01 — — 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-20100081675-A1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS AURKC, AURKA, AURKB AURKA 2/4885AURKB 3/4885NRP1 4658/4885

“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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