SCHEMBL4714451

SCHEMBL4714451

CC(C)(C)c1cc(NC(=O)Nc2ncc(Br)s2)no1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.62
MAPK13 O15264 2/20 0.62
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 3/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
FLT3 P36888 5/20 0.50
CSF1R P07333 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATM Q13315 1/20 0.49
RET P07949 2/20 0.48
PDGFRB P09619 2/20 0.48
KIT P10721 2/20 0.48
PDGFRA P16234 2/20 0.48
KDR P35968 1/20 0.48
EGFR P00533 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
SCHEMBL2951112 0.81 RAB9A (0.77) MAPK14MAPK13RAB9AMEN1KMT2A
SCHEMBL3196132 0.78 MAPK14 (0.67) MAPK14MAPK13RAB9AMEN1KMT2A
SCHEMBL23201762 0.77 MAPK14 (1.00) MAPK14MAPK13FLT3
SCHEMBL4717548 0.77 MAPK14 (0.55) MAPK14MAPK13RAB9AMEN1KMT2A
SCHEMBL28347179 0.76 RAB9A (0.55) MAPK14MAPK13RAB9AMEN1KMT2A
SCHEMBL23201695 0.74 MAPK14 (1.00) MAPK14MAPK13FLT3
SCHEMBL1255104 0.74 MAPK14 (0.78) MAPK14MAPK13RAB9AMEN1KMT2A
SCHEMBL4899524 0.73 RAB9A (0.66) MAPK14MAPK13RAB9AMEN1KMT2A
SCHEMBL134635 0.73 RAB9A (0.66) MAPK14MAPK13RAB9AMEN1KMT2A
SCHEMBL23201781 0.73 MAPK14 (1.00) MAPK14MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737463-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-12-03 EP disclosed
US-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-05-08 US disclosed
EP-1737463-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060970-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO 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 (1 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-20080108608-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 MAPK14 2983/4885MAPK13 2414/4885RAB9A 4632/4885

“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.