SCHEMBL4965158

SCHEMBL4965158

CC(C)c1ccc(NC(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.67
ALDH1A1 P00352 2/20 0.67
NPC1 O15118 1/20 0.67
MAPT P10636 1/20 0.67
MAPK1 P28482 1/20 0.67
HTT P42858 1/20 0.67
RAB9A P51151 1/20 0.67
PTPN2 P17706 1/20 0.55
PTPN1 P18031 1/20 0.55
PTPN6 P29350 1/20 0.55
NR3C1 P04150 2/20 0.53
GLS O94925 2/20 0.53
CETP P11597 1/20 0.52
EPHX2 P34913 2/20 0.52
FPR2 P25090 2/20 0.50
GPR119 Q8TDV5 2/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL4960736 0.94 L3MBTL1 (0.61) L3MBTL1ALDH1A1NPC1MAPTMAPK1
SCHEMBL13930867 0.89 PTPN2 (0.57) L3MBTL1ALDH1A1NPC1MAPTMAPK1
SCHEMBL16825852 0.87 FPR2 (0.63) ALDH1A1NPC1RAB9APTPN2PTPN1
SCHEMBL13930870 0.87 GPR119 (0.58) L3MBTL1ALDH1A1NPC1MAPTMAPK1
SCHEMBL13930863 0.86 PTPN2 (0.57) ALDH1A1MAPTPTPN2PTPN1PTPN6
SCHEMBL13930857 0.86 KDM4E (0.61) PTPN2PTPN1PTPN6GLSCETP
SCHEMBL13930859 0.85 ALDH1A1 (0.66) ALDH1A1PTPN2PTPN1PTPN6GLS
SCHEMBL5778694 0.84 GPR119 (0.60) L3MBTL1ALDH1A1NPC1MAPTMAPK1
SCHEMBL2316963 0.84 PTPN2 (0.64) ALDH1A1MAPTPTPN2PTPN1PTPN6
SCHEMBL6525714 0.84 PTPN1 (0.77) L3MBTL1ALDH1A1NPC1MAPTMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898918-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 EP 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
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
WO-2006135718-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US 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 (4 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 L3MBTL1 1076/4885ALDH1A1 3228/4885NPC1 1119/4885
US-20070004763-A1 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, BMX, ABL1 L3MBTL1 2379/4885ALDH1A1 3033/4885NPC1 3833/4885
US-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TYMP L3MBTL1 1973/4885ALDH1A1 1681/4885NPC1 4489/4885
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, TYMP, PHKG1 L3MBTL1 805/4885ALDH1A1 2636/4885NPC1 1782/4885

“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.