SCHEMBL4717552

SCHEMBL4717552

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.60
MAPT P10636 2/20 0.58
MAPK13 O15264 1/20 0.58
MAPK12 P53778 1/20 0.58
MAPK11 Q15759 1/20 0.58
LMNA P02545 2/20 0.56
RAF1 P04049 2/20 0.51
BRAF P15056 2/20 0.51

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
SCHEMBL4715085 0.90 MAPK14 (0.60) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL4718840 0.87 MAPK14 (0.54) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL4720484 0.85 MAPK14 (0.67) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL4718949 0.84 MAPK14 (0.52) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL4718624 0.82 KCNJ6 (0.51) MAPTBRAF
SCHEMBL4717470 0.82 MAPK14 (0.51) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL5373728 0.82 MAPK14 (0.49) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL4720657 0.82 MAPK14 (0.68) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL4715838 0.80 MAPK14 (0.48) MAPK14MAPTMAPK13MAPK12MAPK11
SCHEMBL4718752 0.80 MAPK14 (0.51) MAPK14MAPTMAPK13MAPK12MAPK11

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 MAPK14 2983/4885MAPT 1508/4885MAPK13 2414/4885

“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.