SCHEMBL4960736

SCHEMBL4960736

CC(C)c1ccc(NC(=O)CC2CCN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
NR3C1 P04150 2/20 0.49
GLS O94925 4/20 0.48
EPHX2 P34913 3/20 0.48
CETP P11597 1/20 0.47
FPR2 P25090 2/20 0.46
BCHE P06276 1/20 0.45
MAOB P27338 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
FPR3 P25089 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL4965158 0.94 L3MBTL1 (0.67) L3MBTL1NPC1ALDH1A1MAPTMAPK1
SCHEMBL31439589 0.89 PTPN2 (0.52) L3MBTL1NPC1ALDH1A1MAPTMAPK1
SCHEMBL13930867 0.82 PTPN2 (0.57) L3MBTL1NPC1ALDH1A1MAPTMAPK1
SCHEMBL13930870 0.81 GPR119 (0.58) L3MBTL1NPC1ALDH1A1MAPTMAPK1
SCHEMBL16825852 0.81 FPR2 (0.63) NPC1ALDH1A1RAB9APTPN2PTPN1
SCHEMBL26554002 0.81 GLS (0.51) NPC1RAB9APTPN2PTPN1PTPN6
SCHEMBL26554007 0.81 GLS (0.51) NPC1RAB9APTPN2PTPN1PTPN6
SCHEMBL13930863 0.80 PTPN2 (0.57) ALDH1A1MAPTPTPN2PTPN1PTPN6
SCHEMBL13930857 0.80 KDM4E (0.61) PTPN2PTPN1PTPN6GLSEPHX2
SCHEMBL6525714 0.80 PTPN1 (0.77) L3MBTL1NPC1ALDH1A1MAPTMAPK1

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 6 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-1896029-A1 AMINOPYRIMIDINES AS KINASE MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-03-12 EP disclosed
WO-2006135644-A1 AMINOPYRIMIDINES AS 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

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-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TYMP L3MBTL1 1973/4885NPC1 4489/4885ALDH1A1 1681/4885
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, TYMP, PHKG1 L3MBTL1 805/4885NPC1 1782/4885ALDH1A1 2636/4885

“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.