SCHEMBL4969302

SCHEMBL4969302

COc1cc2ncc(C#N)c(N3CCC(OC(=O)Nc4ccc(OC(C)C)cc4)C3)c2cc1OC

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 9/20 0.49
ENPP1 P22413 6/20 0.48
PDE10A Q9Y233 2/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
KIT P10721 2/20 0.44
FLT3 P36888 2/20 0.44
CSF1R P07333 1/20 0.44
ERBB2 P04626 1/20 0.43
CHRM4 P08173 1/20 0.43
MAP2K1 Q02750 1/20 0.43

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
SCHEMBL4968636 0.95 ENPP1 (0.51) PDGFRBENPP1KITFLT3CSF1R
SCHEMBL4970316 0.91 ERBB2 (0.52) PDGFRBENPP1PDE10AKITFLT3
SCHEMBL5070385 0.86 ENPP1 (0.51) PDGFRBENPP1KITFLT3CSF1R
SCHEMBL4968261 0.86 ERBB2 (0.54) PDGFRBENPP1KITFLT3ERBB2
SCHEMBL4965480 0.83 PDGFRB (0.67) PDGFRBPDE10APDE3BPDE3AKIT
SCHEMBL4968571 0.80 PDGFRB (0.72) PDGFRBKITFLT3CSF1R
SCHEMBL4969487 0.77 ENPP1 (0.53) PDGFRBENPP1KITFLT3ERBB2
SCHEMBL4965483 0.74 ENPP1 (0.62) ENPP1PDE10AERBB2CHRM4
SCHEMBL4969207 0.73 PDGFRB (0.66) PDGFRBPDE10APDE3BPDE3AKIT
SCHEMBL4965967 0.72 PDE3B (0.64) PDGFRBPDE10APDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899319-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-19 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
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 1922/4885PDE10A 4119/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 PDGFRB 51/4885ENPP1 2497/4885PDE10A 2325/4885

“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.