SCHEMBL4716331

SCHEMBL4716331

CC(C)(C)c1cc(NC(=O)Nc2cccc(C#Cc3cnc(N)nc3)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
RAB9A P51151 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
BRAF P15056 4/20 0.54
MAPK14 Q16539 3/20 0.53
FLT3 P36888 6/20 0.53
RIPK1 Q13546 1/20 0.52
KDR P35968 1/20 0.51
RAF1 P04049 4/20 0.51
RET P07949 2/20 0.51
CSF1R P07333 2/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
PDGFRB P09619 1/20 0.50
KIT P10721 1/20 0.50
PDGFRA P16234 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL4883306 0.90 MEN1 (0.57) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4716313 0.90 KMT2A (0.60) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4717254 0.90 MEN1 (0.60) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4875323 0.90 MEN1 (0.62) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4717206 0.89 MEN1 (0.58) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4714603 0.88 MEN1 (0.57) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4723175 0.87 MEN1 (0.53) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4718758 0.87 MAPK14 (0.54) MEN1RAB9AKMT2ANPC1MAPK14
SCHEMBL4718568 0.86 ALDH1A1 (0.60) MEN1RAB9AKMT2ANPC1BRAF
SCHEMBL4878477 0.86 MEN1 (0.55) MEN1RAB9AKMT2ANPC1BRAF

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 5 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 claimed
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 MEN1 1088/4885RAB9A 4632/4885KMT2A 180/4885

“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.