SCHEMBL4968173

SCHEMBL4968173

COc1ccc2ncnc(N3CCC(NC(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 4/20 0.63
MTNR1B P49286 2/20 0.55
PDGFRB P09619 3/20 0.55
KIT P10721 2/20 0.55
PDGFRA P16234 1/20 0.55
FLT3 P36888 1/20 0.55
ENPP1 P22413 1/20 0.51

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
SCHEMBL4966734 0.94 PAK1 (0.62) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL4966832 0.88 PDGFRB (0.71) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL14599462 0.88 CCNC (0.50) PAK1
SCHEMBL4967395 0.86 PAK1 (0.55) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL4969490 0.85 PDGFRB (0.58) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL4967242 0.84 PAK1 (0.53) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL4965795 0.83 PDGFRB (0.66) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL4965855 0.81 PDGFRB (0.72) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL4969355 0.81 AKT1 (0.54) PAK1PDGFRBKITPDGFRAFLT3
SCHEMBL4966726 0.80 PDGFRB (0.54) PAK1PDGFRBKITPDGFRAFLT3

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 PAK1 133/4885MTNR1B 1754/4885PDGFRB 284/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 PAK1 242/4885MTNR1B 647/4885PDGFRB 51/4885

“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.