SCHEMBL4809739

SCHEMBL4809739

COc1cc2c(cc1C=O)Cc1cn[nH]c1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
LTK P29376 2/20 0.47
AURKB Q96GD4 2/20 0.47
CHEK2 O96017 1/20 0.47
ROS1 P08922 1/20 0.47
MARK3 P27448 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
MINK1 Q8N4C8 1/20 0.47
PBK Q96KB5 1/20 0.47
STK17A Q9UEE5 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLK4 O00444 1/20 0.41
DAPK3 O43293 1/20 0.41
PIM1 P11309 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL4807902 0.84 LTK (0.55) LTKAURKBCHEK2ROS1MARK3
SCHEMBL4815006 0.80 LTK (0.59) LTKAURKBCHEK2ROS1MARK3
SCHEMBL4815669 0.75 PDGFRB (0.47) CHEK1PDGFRB
SCHEMBL22953905 0.74 ALDH1A1 (0.63) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL4817877 0.73 LTK (0.60) LTKAURKBCHEK2ROS1MARK3
SCHEMBL4811188 0.73 LTK (0.60) LMNALTKAURKBCHEK2ROS1
SCHEMBL30865007 0.67 ALDH1A1 (0.75) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL3136850 0.66 ALDH1A1 (0.90) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL6333760 0.65 ALDH1A1 (0.59) LMNAALDH1A1KDM4ETSHRTDP1
SCHEMBL6333334 0.65 ALDH1A1 (0.59) LMNAALDH1A1KDM4ETSHRTDP1

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 LMNA 3785/4885LTK 265/4885AURKB 204/4885

“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.