SCHEMBL13399940

SCHEMBL13399940

CN(C)CCCN1CCc2c(sc3ncc(C#N)c(NCCc4cnc(NC(=O)Nc5ccccc5CN(C)C)s4)c23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 5/20 0.40
EGFR P00533 3/20 0.36
AURKA O14965 5/20 0.36
AURKB Q96GD4 2/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
FLT3 P36888 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
HTR1A P08908 1/20 0.31
ADRA1D P25100 1/20 0.31
HTR1B P28222 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX3 P56373 1/20 0.31

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
SCHEMBL13399924 0.91 AURKA (0.45) TNNI3KEGFRAURKAAURKBNTRK1
SCHEMBL13429857 0.85 TNNI3K (0.38) TNNI3KEGFRHDAC2HDAC6RXFP1
SCHEMBL13399926 0.79 EGFR (0.43) EGFRAURKAAURKBNTRK1CSF1R
SCHEMBL13430247 0.75 TNNI3K (0.40) TNNI3KEGFRRXFP1HTR1AADRA1D
SCHEMBL13399939 0.75 AURKA (0.53) AURKAAURKBNTRK1CSF1RNTRK3
SCHEMBL13399916 0.73 AURKA (0.48) EGFRAURKAAURKBNTRK3NTRK2
SCHEMBL759229 0.67 TNNI3K (0.56) TNNI3KEGFRAURKAAURKBRXFP1
SCHEMBL13399890 0.66 AURKA (0.57) EGFRAURKAAURKBNTRK1CSF1R
SCHEMBL13399919 0.66 AURKA (0.60) AURKAAURKBNTRK1CSF1RFLT3
SCHEMBL13399949 0.65 AURKA (0.61) AURKAAURKBNTRK1CSF1RNTRK3

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 TNNI3K 296/4885EGFR 493/4885AURKA 2/4885

“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.