SCHEMBL4717232

SCHEMBL4717232

CN(C(=O)Nc1cccc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1)c1cc(C(C)(C)C)on1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
BRAF P15056 13/20 0.43
LCK P06239 4/20 0.42
MAPK14 Q16539 2/20 0.42
RAF1 P04049 5/20 0.40
KDR P35968 2/20 0.39
FLT3 P36888 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
TYK2 P29597 1/20 0.39
SYK P43405 1/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
JAK3 P52333 1/20 0.39
MAPK10 P53779 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL5312621 0.96 BRAF (0.44) SLC2A1BRAFLCKMAPK14RAF1
SCHEMBL4719952 0.96 BRAF (0.44) SLC2A1BRAFLCKMAPK14RAF1
SCHEMBL4717609 0.89 BRAF (0.41) SLC2A1BRAFLCKMAPK14RAF1
SCHEMBL4716379 0.86 SLC2A1 (0.55) SLC2A1BRAFRAF1KDRFLT3
SCHEMBL4718430 0.85 LCK (0.41) BRAFLCKRAF1KDRFLT3
SCHEMBL4716479 0.82 BRAF (0.54) SLC2A1BRAFRAF1KDRFLT3
SCHEMBL4718677 0.80 BRAF (0.51) SLC2A1BRAFRAF1KDRFLT3
SCHEMBL4717251 0.80 LCK (0.46) BRAFLCKRAF1KDR
SCHEMBL4715020 0.80 GRM5 (0.39) BRAFLCKMAPK14RAF1FLT3
SCHEMBL4716501 0.79 BRAF (0.52) SLC2A1BRAFRAF1KDRFLT3

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 3 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

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 SLC2A1 2090/4885BRAF 2001/4885LCK 391/4885

“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.