SCHEMBL4719686

SCHEMBL4719686

Cc1cc(NC(=O)Nc2ccc(C#Cc3c(N)ncnc3N)cc2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.49
TEK Q02763 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PKM P14618 1/20 0.45
KDR P35968 6/20 0.42
MAP4K4 O95819 5/20 0.42
LCK P06239 5/20 0.42
BLK P51451 5/20 0.42
SLK Q9H2G2 5/20 0.42
MKNK2 Q9HBH9 5/20 0.42
MAP4K5 Q9Y4K4 4/20 0.42
CSF1R P07333 4/20 0.42
HIPK4 Q8NE63 4/20 0.42
PLK3 Q9H4B4 4/20 0.42
CLK2 P49760 4/20 0.42
NEK2 P51955 4/20 0.42
CSNK1G2 P78368 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
FLT3 P36888 4/20 0.42
CHEK2 O96017 3/20 0.42

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
SCHEMBL4720324 0.88 TEK (0.51) HTR2CTEKALDH1A1PKMKDR
SCHEMBL4717817 0.78 RAB9A (0.45) TEKALDH1A1KDRMAP4K4LCK
SCHEMBL4721836 0.78 SMARCA2 (0.54) HTR2CTEKPKMKDRMAP4K4
SCHEMBL4716748 0.76 LCK (0.48) HTR2CTEKALDH1A1PKMKDR
SCHEMBL4718517 0.76 ALDH1A1 (0.53) TEKALDH1A1KDRMAP4K4LCK
SCHEMBL13235026 0.74 MAPK14 (0.69) HTR2CALDH1A1NAMPTMAPK14SMN1; SMN2
SCHEMBL18236220 0.74 HTR2C (0.60) HTR2CALDH1A1PKMCLK4NAMPT
SCHEMBL28415754 0.73 HTR2C (0.60) HTR2CALDH1A1PKMNAMPTMAPK14
SCHEMBL29946634 0.72 HTR2C (0.55) HTR2CALDH1A1PKMFLT3NAMPT
SCHEMBL4719226 0.70 KDR (0.58) TEKALDH1A1KDRMAP4K4LCK

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-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP claimed
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 HTR2C 3015/4885TEK 2/4885ALDH1A1 1331/4885

“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.