SCHEMBL1938666

SCHEMBL1938666

N#Cc1cnc2ccsc2c1NCCc1cnc(N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
AURKA O14965 16/20 0.38
AURKB Q96GD4 11/20 0.38
PLK4 O00444 1/20 0.34
ACOX3 O15254 1/20 0.34
MAPK13 O15264 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
CHEK2 O96017 1/20 0.34
CDK1 P06493 1/20 0.34
RET P07949 1/20 0.34
MET P08581 1/20 0.34
ROS1 P08922 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
RPS6KB1 P23443 1/20 0.34
EPHA2 P29317 1/20 0.34
KDR P35968 1/20 0.34
FRK P42685 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL3357101 0.76 AURKA (0.45) SRCAURKAAURKBPLK4ACOX3
SCHEMBL13399928 0.76 AURKB (0.70) SRCAURKAAURKBKDR
SCHEMBL2880534 0.75 AURKA (0.59) AURKAAURKBPLK4ACOX3MAPK13
SCHEMBL1939069 0.73 AURKA (0.70) AURKAAURKBPLK4ACOX3MAPK13
SCHEMBL13399939 0.72 AURKA (0.53) AURKAAURKBPLK4ACOX3MAPK13
SCHEMBL13399922 0.72 AURKA (0.72) AURKAAURKBPLK4ACOX3MAPK13
SCHEMBL13399957 0.70 AURKA (0.50) AURKAAURKBMETKDR
SCHEMBL5112894 0.69 SRC (0.46) SRCKDRCLK4MKNK2
SCHEMBL2925185 0.67 SRC (0.54) SRCKDR
SCHEMBL4903095 0.67 SRC (0.56) SRC

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 4 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
EP-2331530-B1 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS NAT HEALTH RESEARCH INSTITUTES (CN) 2013-08-21 EP disclosed
EP-2331530-A2 FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS National Health Research Institutes (CN) 2011-06-15 EP 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 SRC 256/4885AURKA 2/4885AURKB 3/4885

“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.