SCHEMBL13399796

SCHEMBL13399796

COc1cc2c(NCCc3cnc(NC(=O)Nc4ccccc4)s3)ncnc2cc1OCCCN(C)C

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AURKA O14965 16/20 0.84
AURKB Q96GD4 4/20 0.66
CSF1R P07333 2/20 0.66
NTRK1 P04629 1/20 0.66
FLT3 P36888 1/20 0.66
NTRK3 Q16288 1/20 0.66
NTRK2 Q16620 1/20 0.66
KDR P35968 2/20 0.52
EGFR P00533 3/20 0.51

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
SCHEMBL13399869 0.88 AURKA (0.70) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399867 0.88 AURKA (0.70) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399863 0.87 AURKA (0.81) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399795 0.87 AURKA (1.00) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399732 0.87 AURKA (0.82) AURKAAURKBNTRK1KDREGFR
SCHEMBL13399808 0.84 AURKA (0.80) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399784 0.84 AURKA (0.84) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399874 0.84 AURKA (0.69) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399865 0.83 AURKA (0.72) AURKAAURKBCSF1RNTRK1FLT3
SCHEMBL13399987 0.83 AURKA (0.83) 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 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
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 EP 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.