SCHEMBL13399752

SCHEMBL13399752

COc1ccc2c(NCCc3ccc(NC(=O)Nc4cccnc4)cc3)ncnc2c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.65
CSF1R P07333 3/20 0.60
KDM4E B2RXH2 1/20 0.55
NTRK1 P04629 5/20 0.53
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.49
CASP3 P42574 1/20 0.49
KMT2A Q03164 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 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
SCHEMBL1939669 0.89 AURKA (0.83) AURKANTRK1MEN1KMT2A
SCHEMBL15196240 0.84 AURKA (0.70) AURKANTRK1NPC1RAB9AMEN1
SCHEMBL756761 0.83 AURKA (0.70) AURKAKDM4E
SCHEMBL13399750 0.81 AURKA (0.67) AURKACSF1RNTRK1
SCHEMBL13399948 0.80 AURKA (0.84) AURKANTRK1
SCHEMBL15196254 0.80 AURKA (0.81) AURKACSF1RNTRK1
SCHEMBL1939067 0.79 AURKA (0.81) AURKACSF1RNTRK1
SCHEMBL13399866 0.79 AURKA (0.78) AURKANTRK1
SCHEMBL13399734 0.79 AURKA (0.92) AURKACSF1RNTRK1
SCHEMBL1939314 0.79 AURKA (1.00) AURKACSF1RNTRK1MEN1KMT2A

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 2/4885CSF1R 3375/4885KDM4E 1477/4885

“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.