SCHEMBL4975720

SCHEMBL4975720

COc1cc2ncnc(N3CCC(COC(=O)Nc4ccc(OC5CCCC5)cc4)CC3)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 11/20 0.56
ENPP1 P22413 1/20 0.56
PDE3B Q13370 7/20 0.56
PDE3A Q14432 7/20 0.56
PDE10A Q9Y233 6/20 0.56
MAPK1 P28482 1/20 0.54
KIT P10721 1/20 0.53
FGFR1 P11362 1/20 0.53
PDGFRA P16234 1/20 0.53
FGFR2 P21802 1/20 0.53
FGFR4 P22455 1/20 0.53
FGFR3 P22607 1/20 0.53
FLT3 P36888 1/20 0.53

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
SCHEMBL5137777 0.92 PDE3A (0.56) PDGFRBPDE3BPDE3APDE10AKIT
SCHEMBL4968219 0.89 PDGFRB (0.59) PDGFRBPDE3BPDE3APDE10AKIT
SCHEMBL4965967 0.86 PDE3B (0.64) PDGFRBPDE3BPDE3APDE10A
SCHEMBL5528019 0.85 PDGFRB (0.69) PDGFRBENPP1MAPK1KITPDGFRA
SCHEMBL4974993 0.85 PDGFRA (0.64) PDGFRBPDE3BPDE3APDE10AKIT
SCHEMBL27732085 0.84 PDGFRB (0.60) PDGFRBPDE3BPDE3APDE10AKIT
SCHEMBL4965715 0.82 PDGFRA (0.60) PDGFRBPDE3BPDE3APDE10AKIT
SCHEMBL5824504 0.81 KDR (0.74) PDGFRBKITPDGFRAFLT3
SCHEMBL5825054 0.80 KDR (0.73) PDGFRBKITPDGFRAFLT3
SCHEMBL5824888 0.80 KDR (0.73) PDGFRBKITPDGFRAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101242838-A Synergistic modulation of FLT3 kinase using aminoquinoline and aminoquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
EP-1899319-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 EP disclosed
EP-1893206-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135649-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135636-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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 (2 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-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ PDGFRB 284/4885ENPP1 1922/4885PDE3B 2347/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 PDGFRB 51/4885ENPP1 2497/4885PDE3B 1450/4885

“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.