SCHEMBL4969487

SCHEMBL4969487

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 6/20 0.53
ERBB2 P04626 3/20 0.52
EGFR P00533 2/20 0.52
PDGFRB P09619 4/20 0.47
KIT P10721 3/20 0.47
PDGFRA P16234 3/20 0.47
FLT3 P36888 1/20 0.47
KDR P35968 1/20 0.43
CHRM4 P08173 3/20 0.43
EPHX2 P34913 1/20 0.42

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
SCHEMBL5070385 0.91 ENPP1 (0.51) ENPP1PDGFRBKITPDGFRAFLT3
SCHEMBL4970316 0.86 ERBB2 (0.52) ENPP1ERBB2EGFRPDGFRBKIT
SCHEMBL4968261 0.84 ERBB2 (0.54) ENPP1ERBB2EGFRPDGFRBKIT
SCHEMBL4965795 0.83 PDGFRB (0.66) ENPP1PDGFRBKITPDGFRAFLT3
SCHEMBL14599467 0.79 KIT (0.58) PDGFRBKITPDGFRAFLT3KDR
SCHEMBL4966832 0.79 PDGFRB (0.71) ENPP1PDGFRBKITPDGFRAFLT3
SCHEMBL4967296 0.78 PDGFRB (0.64) ENPP1PDGFRBKITPDGFRAFLT3
SCHEMBL4969302 0.77 PDGFRB (0.49) ENPP1ERBB2PDGFRBKITFLT3
SCHEMBL4968636 0.75 ENPP1 (0.51) ENPP1PDGFRBKITFLT3CHRM4
SCHEMBL24392346 0.74 ENPP1 (0.62) ENPP1CHRM4

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 8 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
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 ENPP1 1922/4885ERBB2 157/4885EGFR 631/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 ENPP1 2497/4885ERBB2 5/4885EGFR 91/4885

“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.