SCHEMBL4812787

SCHEMBL4812787

COC(=O)c1ccc2c(c1)Cc1cn[nH]c1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 2/20 0.48
AURKB Q96GD4 2/20 0.48
PLK4 O00444 1/20 0.48
DAPK3 O43293 1/20 0.48
PIM1 P11309 1/20 0.48
PDGFRA P16234 1/20 0.48
MAP2K2 P36507 1/20 0.48
FLT3 P36888 1/20 0.48
MAPK8 P45983 1/20 0.48
MAPK9 P45984 1/20 0.48
CSNK1A1 P48729 1/20 0.48
TDO2 P48775 1/20 0.48
CDK8 P49336 1/20 0.48
CDK5 Q00535 1/20 0.48
MAP2K1 Q02750 1/20 0.48
MST1R Q04912 1/20 0.48
PTK2 Q05397 1/20 0.48
MAP4K2 Q12851 1/20 0.48
ROCK1 Q13464 1/20 0.48
DYRK1A Q13627 1/20 0.48

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
SCHEMBL13550865 0.76 PTPRC (0.54) TRPA1NPC1MAPTRAB9ACA12
SCHEMBL6907035 0.76 CA1 (0.55) TRPA1NPC1MAPTRAB9ACA12
SCHEMBL8920996 0.76 CA1 (0.55) TRPA1NPC1MAPTRAB9ACA12
SCHEMBL4814814 0.75 PDGFRB (0.50) CHEK2TRPA1PDGFRBCHEK1
SCHEMBL4918684 0.74 SRD5A2 (0.66) TRPA1NPC1MAPTRAB9AMAPK1
SCHEMBL23166496 0.73 MAPT (0.53) TRPA1NPC1MAPTRAB9AMAPK1
SCHEMBL2395323 0.73 MAPT (0.53) TRPA1NPC1MAPTRAB9AMAPK1
SCHEMBL22680550 0.72 FASN (0.49) MAPTTGFBR1MAPK1CA12CA1
SCHEMBL31638139 0.71 PTPRC (0.51) TRPA1NPC1MAPTRAB9ACA12
SCHEMBL8921005 0.70 KDM4E (0.53) TRPA1NPC1MAPTRAB9AMAPK1

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 LTK 265/4885AURKB 204/4885PLK4 307/4885

“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.