SCHEMBL4718921

SCHEMBL4718921

Cn1nc(C2CC2)cc1NC(=O)Nc1cccc(C#Cc2cnc(NCCN3CCOCC3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.43
LCK P06239 4/20 0.42
MAPK14 Q16539 2/20 0.42
EPHX2 P34913 6/20 0.42
EGFR P00533 1/20 0.41
KCNJ6 P48051 6/20 0.41
KCNJ3 P48549 6/20 0.41
KDR P35968 3/20 0.40
SRC P12931 2/20 0.40
MAPK9 P45984 2/20 0.40
JAK3 P52333 2/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
DYRK3 O43781 1/20 0.40
JAK2 O60674 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL4717742 0.95 LCK (0.43) LCKMAPK14EPHX2EGFRKCNJ6
SCHEMBL4714642 0.88 KCNJ6 (0.41) GCKKCNJ6KCNJ3FGFR1KCNJ5
SCHEMBL4718752 0.87 MAPK14 (0.51) GCKLCKMAPK14SRCMAPK9
SCHEMBL5306823 0.84 KCNJ6 (0.40) EGFRKCNJ6KCNJ3FGFR1FGFR3
SCHEMBL4718731 0.82 MAPK14 (0.49) LCKMAPK14EPHX2SRCMAPK9
SCHEMBL4718541 0.81 KDR (0.49) GCKLCKMAPK14EPHX2EGFR
SCHEMBL4719663 0.81 KCNJ6 (0.49) LCKKCNJ6KCNJ3KDRKCNJ5
SCHEMBL4718624 0.81 KCNJ6 (0.51) KCNJ6KCNJ3KCNJ5
SCHEMBL4716379 0.79 SLC2A1 (0.55) KDRCSF1RKITFLT3
SCHEMBL4714370 0.79 FLT3 (0.45) GCKLCKMAPK14EPHX2EGFR

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 GCK 2676/4885LCK 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.