SCHEMBL4965743

SCHEMBL4965743

COc1cc2ncnc(N3CCC(O)CC3)c2cc1OC

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.70
ACHE P22303 7/20 0.69
BACE1 P56817 7/20 0.69
PDE10A Q9Y233 7/20 0.67
MAPK1 P28482 1/20 0.66
PDE3B Q13370 3/20 0.60
PDE3A Q14432 3/20 0.60

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
SCHEMBL4965165 0.92 PDE10A (0.65) ENPP1ACHEBACE1PDE10AMAPK1
SCHEMBL11804474 0.88 ACHE (0.71) ENPP1ACHEBACE1MAPK1
SCHEMBL11882354 0.87 ACHE (0.88) ENPP1ACHEBACE1PDE10A
SCHEMBL10912799 0.87 ENPP1 (0.74) ENPP1ACHEBACE1PDE10AMAPK1
SCHEMBL7276406 0.86 ENPP1 (0.73) ENPP1ACHEBACE1PDE10AMAPK1
SCHEMBL30446314 0.85 ENPP1 (0.76) ENPP1ACHEBACE1PDE10AMAPK1
Hydrochloric Acid SCHEMBL22441562 0.85 ENPP1 (0.72) ENPP1ACHEBACE1PDE10AMAPK1
SCHEMBL20798259 0.85 ENPP1 (0.76) ENPP1ACHEBACE1PDE10AMAPK1
Hydrochloric Acid SCHEMBL29357602 0.85 ENPP1 (0.72) ENPP1ACHEBACE1PDE10AMAPK1
SCHEMBL10910816 0.85 ENPP1 (0.78) ENPP1ACHEBACE1PDE10AMAPK1

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 ENPP1 1922/4885ACHE 4844/4885BACE1 2096/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 ENPP1 2497/4885ACHE 4535/4885BACE1 2700/4885

“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.