SCHEMBL4718778

SCHEMBL4718778

Nc1cccc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.47
CYP1A2 P05177 7/20 0.46
CYP3A4 P08684 6/20 0.46
USP2 O75604 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
LRRK2 Q5S007 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
P2RX3 P56373 1/20 0.44
P2RX2 Q9UBL9 1/20 0.44
LMNA P02545 5/20 0.42
CYP2D6 P10635 4/20 0.42
HIF1A Q16665 4/20 0.42
HSD17B10 Q99714 4/20 0.42
ALOX15 P16050 2/20 0.42
TP53 P04637 1/20 0.42
MAPK8 P45983 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL4618634 0.94 EGFR (0.49) EGFRKMT2ALMNAHSD17B10ALOX15
SCHEMBL4718716 0.90 LTA4H (0.42) EGFRP2RX3P2RX2
SCHEMBL3582836 0.85 P2RX3 (0.42) EGFRCYP1A2CYP3A4CLK4MEN1
SCHEMBL3632649 0.83 CYP1A2 (0.45) EGFRCYP1A2CYP3A4USP2CLK4
SCHEMBL3585455 0.82 MKNK1 (0.41) EGFRMKNK1
SCHEMBL3632929 0.81 EGFR (0.44) EGFRCYP1A2CYP3A4CLK4MEN1
SCHEMBL3571140 0.80 EGFR (0.43) EGFRCYP1A2CYP3A4CLK4MEN1
SCHEMBL13499918 0.79 EGFR (0.43) EGFRLMNAALDH1A1
SCHEMBL3627509 0.79 EGFR (0.43) EGFRCYP1A2CYP3A4USP2CLK4
SCHEMBL4618842 0.77 ALDH1A1 (0.46) EGFRCYP1A2CYP3A4MEN1KMT2A

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 4 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 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 EGFR 334/4885CYP1A2 2490/4885CYP3A4 4207/4885

“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.