SCHEMBL13399891

SCHEMBL13399891

CN(C)CCCOc1ccc(-c2nc3c(NCCc4cnc(NC(=O)Nc5ccccc5)s4)ccnc3o2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 15/20 0.58
▸ AURKB Q96GD4 4/20 0.50
▸ CSF1R P07333 2/20 0.50
▸ NTRK1 P04629 1/20 0.50
▸ FLT3 P36888 1/20 0.50
▸ NTRK3 Q16288 1/20 0.50
▸ NTRK2 Q16620 1/20 0.50
▸ PTPN1 P18031 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK5 Q00535 1/20 0.36

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
SCHEMBL13399826 0.89 AURKA (0.68) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399880 0.88 AURKA (0.60) AURKAAURKBPTPN1HRH3
SCHEMBL13399897 0.87 AURKA (0.59) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399884 0.86 AURKA (0.58) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399904 0.86 AURKA (0.55) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399881 0.81 AURKA (0.78) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399883 0.78 AURKA (0.60) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399848 0.78 AURKA (0.69) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399860 0.78 AURKA (0.68) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399886 0.77 AURKA (0.65) AURKAAURKBCSF1RNTRK1FLT3

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.

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