SCHEMBL10139776

SCHEMBL10139776

Cc1cc2c(cc1C)C(=O)NC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
CLK4 Q9HAZ1 3/20 0.51
NTRK1 P04629 2/20 0.51
FLT3 P36888 2/20 0.51
GSK3B P49841 2/20 0.51
DAPK3 O43293 1/20 0.51
PIM1 P11309 1/20 0.51
ROCK1 Q13464 1/20 0.51
DYRK1B Q9Y463 2/20 0.49
FYN P06241 1/20 0.49
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
NTRK2 Q16620 2/20 0.46
TYRO3 Q06418 1/20 0.46
JAK2 O60674 1/20 0.44
MET P08581 1/20 0.44
FGFR1 P11362 1/20 0.44
PRKACA P17612 1/20 0.44
KDR P35968 1/20 0.44
MAP2K2 P36507 1/20 0.44

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
SCHEMBL31195434 1.00 HTT (0.52) HTTCLK4NTRK1FLT3GSK3B
SCHEMBL12240967 0.84 CLK4 (0.62) HTTCLK4NTRK1FLT3GSK3B
SCHEMBL15187776 0.84 CLK4 (0.62) HTTCLK4NTRK1FLT3GSK3B
SCHEMBL3251777 0.84 CLK4 (0.46) HTTCLK4NTRK1FLT3GSK3B
SCHEMBL23137995 0.84 CLK4 (0.46) HTTCLK4NTRK1FLT3GSK3B
SCHEMBL28893845 0.84 CA12 (0.56) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL16330399 0.83 CLK4 (0.45) HTTCLK4NTRK1FLT3GSK3B
SCHEMBL32666530 0.81 CA12 (0.54) CLK4NTRK1FLT3GSK3BDAPK3
SCHEMBL23137994 0.81 CLK4 (0.44) HTTCLK4NTRK1FLT3GSK3B
SCHEMBL9214155 0.79 PARP10 (0.62) HTTPARP1PARP10GRM5PARP11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 HTT 3243/4885CLK4 4548/4885NTRK1 4506/4885

“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.