SCHEMBL4972035

SCHEMBL4972035

CC(C)c1ccc(NC(=O)NC2CCN(c3ncnc4cc(OCCCN5CCN(C)CC5)ccc34)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AURKA O14965 13/20 0.67
AURKB Q96GD4 13/20 0.67
KDR P35968 2/20 0.54
PAK1 Q13153 2/20 0.50
PDGFRB P09619 2/20 0.47
KIT P10721 1/20 0.47
FLT3 P36888 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL14599466 0.89 AURKA (0.61) AURKAAURKBKDRFLT3EPHX2
SCHEMBL4969490 0.88 PDGFRB (0.58) AURKAAURKBKDRPAK1PDGFRB
SCHEMBL4966734 0.86 PAK1 (0.62) KDRPAK1PDGFRBKITFLT3
SCHEMBL4966202 0.85 AURKA (0.50) AURKAAURKBKDRPAK1PDGFRB
SCHEMBL4966726 0.84 PDGFRB (0.54) AURKAAURKBKDRPAK1PDGFRB
SCHEMBL4967242 0.81 PAK1 (0.53) PAK1PDGFRBKITFLT3EPHX2
SCHEMBL4971464 0.81 AURKA (0.47) AURKAAURKBKDRPAK1PDGFRB
SCHEMBL4968173 0.80 PAK1 (0.63) PAK1PDGFRBKITFLT3
SCHEMBL4966832 0.79 PDGFRB (0.71) KDRPAK1PDGFRBKITFLT3
SCHEMBL4967395 0.79 PAK1 (0.55) PAK1PDGFRBKITFLT3EPHX2

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-101300249-A Aminoquinoline and aminoquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 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 AURKA 75/4885AURKB 13/4885KDR 483/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 AURKA 65/4885AURKB 31/4885KDR 90/4885

“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.