SCHEMBL4721035

SCHEMBL4721035

Cn1nc(C(C)(C)C)cc1NC(=O)Nc1cncc(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
MAPK13 O15264 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK12 P53778 1/20 0.51
RAF1 P04049 1/20 0.48
ERBB2 P04626 1/20 0.48
NTRK1 P04629 1/20 0.47
RET P07949 1/20 0.47
EPHB2 P29323 1/20 0.47
KDR P35968 1/20 0.47

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 0.87 MAPK14 (0.60) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL4638244 0.86 AAK1 (0.46) MAPK14MAPTLMNARETKDR
SCHEMBL4714298 0.82 MAPK14 (0.53) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL4718461 0.82 NTRK1 (0.42) NTRK1RET
SCHEMBL4716046 0.82 MAPK14 (0.55) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL4717552 0.77 MAPK14 (0.60) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL4718758 0.76 MAPK14 (0.54) MAPK14RAF1RETKDR
SCHEMBL4638868 0.76 RET (0.41) MAPTRETKDR
SCHEMBL4641036 0.76 LCK (0.56) MAPK14MAPTLMNAMAPK13MAPK11
SCHEMBL13499909 0.74 MAP4K4 (0.42) RETKDR

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 MAPK14 2983/4885MAPT 1508/4885LMNA 1542/4885

“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.