SCHEMBL4472945

SCHEMBL4472945

O=C(c1cc2cnc3[nH]ccc3c2s1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.50
PLK4 O00444 1/20 0.50
MAP4K4 O95819 1/20 0.50
ROS1 P08922 1/20 0.50
FGFR1 P11362 1/20 0.50
FLT1 P17948 1/20 0.50
MARK3 P27448 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50
FLT3 P36888 1/20 0.50
CLK2 P49760 1/20 0.50
CSNK1G2 P78368 1/20 0.50
MAP4K2 Q12851 1/20 0.50
ROCK1 Q13464 1/20 0.50
NTRK3 Q16288 1/20 0.50
MINK1 Q8N4C8 1/20 0.50
AURKB Q96GD4 1/20 0.50
PRKD2 Q9BZL6 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50

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
SCHEMBL4471014 0.88 KIT (0.42) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL13708159 0.81 MAPT (0.53) JAK2JAK1JAK3TYK2KDM4E
SCHEMBL4474972 0.78 SLC22A12 (0.39) PLK4MAP4K4ROS1FGFR1MARK3
SCHEMBL13708174 0.76 PDGFRB (0.50) FGFR1FLT3
SCHEMBL4462963 0.75 ALDH1A1 (0.44) JAK2KDRHPGDJAK1JAK3
SCHEMBL31081098 0.74 L3MBTL1 (0.50) JAK2L3MBTL1HPGDHTR2CGAA
SCHEMBL18889260 0.72 L3MBTL1 (0.67) L3MBTL1HPGDHTR2CGAAKDM4E
SCHEMBL24642461 0.72 JAK1 (0.50) JAK2PLK4MAP4K4ROS1FGFR1
SCHEMBL4463894 0.71 MAPT (0.58) AURKBGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL12605425 0.71 SMN1; SMN2 (0.52) JAK2PLK4MAP4K4ROS1FGFR1

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 13 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
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-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 US disclosed
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
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 US 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
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 JAK2 129/4885PLK4 344/4885MAP4K4 262/4885

“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.