SCHEMBL4718600

SCHEMBL4718600

CC(C)(C)c1cc(NC(=O)Nc2cccc(C#Cc3cnc(NCCN4CCNCC4)nc3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.49
SLC2A1 P11166 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
BRAF P15056 13/20 0.45
RAF1 P04049 12/20 0.45
RET P07949 1/20 0.45

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
SCHEMBL4715251 0.95 FLT3 (0.48) FLT3BRAFRAF1
SCHEMBL4718677 0.93 BRAF (0.51) FLT3SLC2A1MEN1NPC1RAB9A
SCHEMBL4716501 0.92 BRAF (0.52) FLT3SLC2A1MEN1NPC1RAB9A
SCHEMBL4716379 0.92 SLC2A1 (0.55) FLT3SLC2A1BRAFRAF1RET
SCHEMBL4717170 0.88 BRAF (0.53) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4715866 0.88 BRAF (0.54) FLT3BRAFRAF1
SCHEMBL4718429 0.88 BRAF (0.54) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL4716479 0.87 BRAF (0.54) FLT3SLC2A1BRAFRAF1RET
SCHEMBL4715826 0.85 MEN1 (0.53) FLT3MEN1NPC1RAB9AKMT2A
SCHEMBL4716485 0.84 MEN1 (0.53) FLT3MEN1NPC1RAB9AKMT2A

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 FLT3 14/4885SLC2A1 2090/4885MEN1 1088/4885

“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.