SCHEMBL13399795

SCHEMBL13399795

CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4ccccc4)s3)ncnc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 1.00
AURKB Q96GD4 8/20 0.85
CSF1R P07333 3/20 0.85
NTRK2 Q16620 3/20 0.85
NTRK3 Q16288 2/20 0.85
NTRK1 P04629 2/20 0.85
FLT3 P36888 1/20 0.85
DDR2 Q16832 2/20 0.50
PLK4 O00444 1/20 0.50
ACOX3 O15254 1/20 0.50
MAPK13 O15264 1/20 0.50
DYRK3 O43781 1/20 0.50
ROCK2 O75116 1/20 0.50
CHEK2 O96017 1/20 0.50
CDK1 P06493 1/20 0.50
RET P07949 1/20 0.50
MET P08581 1/20 0.50
ROS1 P08922 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50

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
SCHEMBL20898307 0.92 AURKA (1.00) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL29435074 0.92 AURKA (1.00) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL29774214 0.92 AURKA (1.00) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL13399797 0.90 AURKA (0.81) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL13399863 0.89 AURKA (0.81) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL13399808 0.89 AURKA (0.80) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL13399937 0.89 AURKA (0.80) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL13399881 0.88 AURKA (0.78) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL13399796 0.87 AURKA (0.84) AURKAAURKBCSF1RNTRK2NTRK3
SCHEMBL13399798 0.87 AURKA (0.76) AURKAAURKBCSF1RNTRK2NTRK3

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.