SCHEMBL13399896

SCHEMBL13399896

CN(C)CCCOc1ccc(-c2nc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ccnc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 10/20 0.55
▸ AURKB Q96GD4 1/20 0.51
▸ HRH3 Q9Y5N1 3/20 0.45
▸ PPARA Q07869 3/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ CHEK2 O96017 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ RET P07949 1/20 0.39

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
SCHEMBL13399884 0.88 AURKA (0.58) AURKAAURKBHRH3CHEK2RET
SCHEMBL13399877 0.86 AURKA (0.47) AURKAAURKB
SCHEMBL13399889 0.85 AURKA (0.52) AURKAAURKBHRH3PPARALTA4H
SCHEMBL13399887 0.85 AURKA (0.56) AURKAAURKBHRH3PPARACACNA1B
SCHEMBL13399880 0.84 AURKA (0.60) AURKAAURKBHRH3PPARA
SCHEMBL13430288 0.83 AURKA (0.39) AURKAAURKBHRH3CHEK2RET
SCHEMBL13399854 0.80 AURKA (0.62) AURKAAURKB
SCHEMBL13399878 0.79 AURKA (0.76) AURKAAURKBHRH3
SCHEMBL13399850 0.78 AURKA (0.64) AURKAAURKB
SCHEMBL13399860 0.76 AURKA (0.68) AURKAAURKBCHEK2RET

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 3/4885HRH3 3971/4885

“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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