SCHEMBL4966752

SCHEMBL4966752

COc1cc2ncnc(N3CCC(NC(=O)OC(C)(C)C)C3)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.56
MAPK1 P28482 1/20 0.54
PDE10A Q9Y233 11/20 0.53
PDE3B Q13370 8/20 0.53
PDE3A Q14432 8/20 0.53
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL4965169 0.94 ENPP1 (0.61) ENPP1MAPK1PDE10AACHEBACE1
SCHEMBL5070354 0.87 ENPP1 (0.61) ENPP1MAPK1PDE10APDE3BPDE3A
SCHEMBL24704639 0.84 MAP4K4 (0.54) PDE10A
SCHEMBL29647989 0.84 MAP4K4 (0.54) PDE10A
SCHEMBL4965612 0.83 MAP4K4 (0.49) PDE10A
SCHEMBL24393164 0.83 ACHE (0.49) ENPP1MAPK1PDE10AACHEBACE1
SCHEMBL29588711 0.83 ACHE (0.49) ENPP1MAPK1PDE10AACHEBACE1
SCHEMBL22455038 0.83 ENPP1 (0.62) ENPP1MAPK1PDE10AACHEBACE1
SCHEMBL22455401 0.83 NCF1 (0.56) PDE10APDGFRBPDGFRA
SCHEMBL10802322 0.82 ENPP1 (0.52) ENPP1MAPK1PDE10AACHEBACE1

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 1922/4885MAPK1 1237/4885PDE10A 4119/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 ENPP1 2497/4885MAPK1 417/4885PDE10A 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.