SCHEMBL13399731

SCHEMBL13399731

COc1cc(OCCN(C)C)cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.58
NTRK1 P04629 7/20 0.57
AURKB Q96GD4 4/20 0.53
RPS6KB1 P23443 1/20 0.45

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
SCHEMBL13399737 0.92 AURKA (0.68) AURKAAURKB
SCHEMBL13399730 0.88 AURKA (0.74) AURKANTRK1AURKB
SCHEMBL13399946 0.82 AURKA (0.85) AURKANTRK1AURKBRPS6KB1
SCHEMBL13399733 0.82 AURKA (0.70) AURKANTRK1AURKB
SCHEMBL13399749 0.80 AURKA (0.59) AURKAAURKB
SCHEMBL1939085 0.80 AURKA (0.83) AURKANTRK1AURKB
SCHEMBL13399751 0.78 AURKA (0.59) AURKANTRK1AURKB
SCHEMBL13399734 0.78 AURKA (0.92) AURKANTRK1AURKB
SCHEMBL13399773 0.78 EGFR (0.61) AURKAAURKB
SCHEMBL13399735 0.77 AURKA (0.83) AURKANTRK1AURKB

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 5 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
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 2/4885NTRK1 1705/4885AURKB 3/4885

“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.