SCHEMBL4471014

SCHEMBL4471014

O=C(O)N1CCN(C(=O)c2cc3cnc4[nH]ccc4c3s2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
PDE2A O00408 1/20 0.41
PDE3A Q14432 1/20 0.41
JAK1 P23458 4/20 0.39
TP53 P04637 1/20 0.39
JAK2 O60674 4/20 0.37
KDR P35968 2/20 0.37
MAPT P10636 2/20 0.37
PLK4 O00444 1/20 0.37
MAP4K4 O95819 1/20 0.37
ROS1 P08922 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
MARK3 P27448 1/20 0.37
FLT4 P35916 1/20 0.37
FLT3 P36888 1/20 0.37
CLK2 P49760 1/20 0.37
CSNK1G2 P78368 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL4472945 0.88 JAK2 (0.50) JAK1JAK2KDRMAPTPLK4
SCHEMBL4474972 0.81 SLC22A12 (0.39) KDRMAPTPLK4MAP4K4ROS1
SCHEMBL13708174 0.81 PDGFRB (0.50) KITFGFR1FLT3
SCHEMBL4462963 0.76 ALDH1A1 (0.44) JAK1JAK2KDRMAPTKDM4E
SCHEMBL4463894 0.74 MAPT (0.58) TP53MAPTAURKBKDM4ENPC1
SCHEMBL13708159 0.71 MAPT (0.53) JAK1TP53JAK2MAPTKDM4E
SCHEMBL27727541 0.71 SLC22A12 (0.43) JAK1JAK2FGFR1MAP4K2ROCK1
SCHEMBL13708161 0.70 JAK2 (0.46) KITJAK1JAK2MAPTKDM4E
SCHEMBL27727539 0.69 CDK8 (0.38) JAK1JAK2KDRPLK4MAP4K4
SCHEMBL10277671 0.68 KIT (0.66) KITHRH4JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US claimed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US claimed
CN-101291938-A Compounds and compositions as protein kinase inhibitors IRM LLC THE SCRIPPS RES INST (BM) 2008-10-22 CN claimed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP claimed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO claimed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
CN-101291938-A Compounds and compositions as protein kinase inhibitors IRM LLC THE SCRIPPS RES INST (BM) 2008-10-22 CN disclosed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 EP disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO 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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK KIT 115/4885PDE2A 2260/4885PDE3A 2558/4885

“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.