SCHEMBL13399861

SCHEMBL13399861

O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3ncccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.74
BTK Q06187 1/20 0.55
AURKB Q96GD4 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
GLA P06280 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NTRK1 P04629 1/20 0.53
RPS6KB1 P23443 1/20 0.51
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EGFR P00533 1/20 0.49
APP P05067 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL13399982 0.85 AURKA (1.00) AURKABTKAURKBLMNAHTT
SCHEMBL13399879 0.84 AURKA (0.57) AURKAAURKBKDM4EMEN1MAPT
SCHEMBL13399862 0.81 AURKA (0.78) AURKABTKAURKBLMNAHTT
SCHEMBL13399866 0.81 AURKA (0.78) AURKABTKAURKBLMNAHTT
SCHEMBL13399989 0.78 AURKA (0.78) AURKABTKHTTNTRK1
SCHEMBL13399885 0.77 AURKA (0.50) AURKAAURKBKDM4EMEN1MAPT
SCHEMBL759149 0.77 AURKA (0.79) AURKABTKAURKB
SCHEMBL13399858 0.76 AURKA (0.71) AURKABTKAURKBNTRK1
SCHEMBL757769 0.76 AURKA (1.00) AURKAAURKB
SCHEMBL1939314 0.76 AURKA (1.00) AURKAAURKBMEN1KMT2ANTRK1

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 2/4885BTK 407/4885AURKB 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.