SCHEMBL4719952

SCHEMBL4719952

CN(C(=O)Nc1cccc(C#Cc2cnc(NCCCN3CCOCC3)nc2)c1)c1cc(C(C)(C)C)on1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 13/20 0.44
LCK P06239 1/20 0.43
MAPK14 Q16539 1/20 0.43
SLC2A1 P11166 1/20 0.42
RAF1 P04049 5/20 0.42
CSNK2A1 P68400 1/20 0.41
FGFR1 P11362 1/20 0.40
EPHX2 P34913 2/20 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
SCHEMBL4717232 0.96 SLC2A1 (0.46) BRAFLCKMAPK14SLC2A1RAF1
SCHEMBL4717609 0.94 BRAF (0.41) BRAFLCKMAPK14SLC2A1RAF1
SCHEMBL5312621 0.92 BRAF (0.44) BRAFLCKMAPK14SLC2A1RAF1
SCHEMBL4716479 0.87 BRAF (0.54) BRAFSLC2A1RAF1
SCHEMBL4718430 0.86 LCK (0.41) BRAFLCKRAF1FGFR1
SCHEMBL4716379 0.82 SLC2A1 (0.55) BRAFSLC2A1RAF1
SCHEMBL4717170 0.81 BRAF (0.53) BRAFRAF1
SCHEMBL5250923 0.80 BRAF (0.39) BRAFSLC2A1RAF1CSNK2A1
SCHEMBL4718429 0.80 BRAF (0.54) BRAFRAF1
SCHEMBL4715866 0.80 BRAF (0.54) BRAFRAF1

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 BRAF 2001/4885LCK 391/4885MAPK14 2983/4885

“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.