SCHEMBL13399919

SCHEMBL13399919

CN(C)CCCOc1ccc(-c2cc3c(NCCc4cnc(NC(=O)Nc5ccccc5)s4)c(C#N)cnc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.60
AURKB Q96GD4 3/20 0.53
CSF1R P07333 2/20 0.53
NTRK1 P04629 1/20 0.53
FLT3 P36888 1/20 0.53
NTRK3 Q16288 1/20 0.53
NTRK2 Q16620 1/20 0.53
KDM4E B2RXH2 1/20 0.40
RAD52 P43351 1/20 0.40
USP7 Q93009 1/20 0.40
USP47 Q96K76 1/20 0.40
PRKCQ Q04759 3/20 0.39
PRKCD Q05655 1/20 0.39
CHEK1 O14757 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL13399915 0.90 AURKA (0.55) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399917 0.88 AURKA (0.58) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399895 0.88 AURKA (0.73) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399905 0.87 AURKA (0.56) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399901 0.84 AURKA (0.55) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399904 0.84 AURKA (0.55) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399900 0.83 AURKA (0.61) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399890 0.82 AURKA (0.57) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399899 0.78 AURKA (0.52) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399903 0.77 AURKA (0.72) AURKAAURKBUSP7USP47CHEK1

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 3/4885CSF1R 3375/4885

“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.