SCHEMBL4718541

SCHEMBL4718541

Cc1cc(NC(=O)Nc2cccc(C#Cc3cnc(NCCN4CCOCC4)nc3)c2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.49
FLT3 P36888 2/20 0.49
AURKA O14965 1/20 0.49
ALDH1A1 P00352 1/20 0.46
LCK P06239 3/20 0.45
MAPK14 Q16539 2/20 0.45
EPHX2 P34913 4/20 0.44
EGFR P00533 1/20 0.43
GCK P35557 1/20 0.43
SLC2A1 P11166 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
CASR P41180 1/20 0.42
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
RAF1 P04049 2/20 0.42
BRAF P15056 2/20 0.42
SRC P12931 1/20 0.41

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
SCHEMBL4714363 0.95 FLT3 (0.48) KDRFLT3AURKAALDH1A1LCK
SCHEMBL4717700 0.93 ALDH1A1 (0.48) KDRFLT3AURKAALDH1A1GCK
SCHEMBL4716379 0.90 SLC2A1 (0.55) KDRFLT3SLC2A1RAF1BRAF
SCHEMBL4718602 0.88 ALDH1A1 (0.46) KDRFLT3AURKAALDH1A1MEN1
SCHEMBL4716479 0.85 BRAF (0.54) KDRFLT3SLC2A1RAF1BRAF
SCHEMBL4720833 0.84 SMN1; SMN2 (0.49) KDRFLT3AURKAALDH1A1SLC2A1
SCHEMBL4718677 0.83 BRAF (0.51) KDRFLT3AURKASLC2A1MEN1
SCHEMBL4716501 0.82 BRAF (0.52) KDRFLT3AURKASLC2A1MEN1
SCHEMBL4719763 0.82 ALDH1A1 (0.50) FLT3AURKAALDH1A1EGFRMEN1
SCHEMBL4718752 0.82 MAPK14 (0.51) LCKMAPK14GCKRAF1BRAF

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 KDR 5/4885FLT3 14/4885AURKA 249/4885

“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.