SCHEMBL4797188

SCHEMBL4797188

c1ccc(-c2ncn(CC3CCCCC3)c2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 2/20 0.59
MAPK14 Q16539 3/20 0.56
MAPK13 O15264 2/20 0.56
MAPK12 P53778 2/20 0.56
MAPK11 Q15759 2/20 0.56
PTGS2 P35354 4/20 0.53
NPSR1 Q6W5P4 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
TGFBR1 P36897 2/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
FRK P42685 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
GSK3B P49841 1/20 0.46
PRKD2 Q9BZL6 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46

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
SCHEMBL13038792 0.86 MAPK14 (0.76) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL30023277 0.78 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL2614578 0.78 MAPK14 (0.65) TEKMAPK14MAPK13MAPK12MAPK11
Bromide SCHEMBL30021492 0.77 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL4796516 0.76 TEK (1.00) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL4797878 0.76 TEK (0.68) TEKMAPK14LMNAMEN1MAPT
SCHEMBL4802665 0.76 TEK (0.68) TEKMAPK14LMNAMEN1MAPT
SCHEMBL4796261 0.74 TEK (0.75) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL12767959 0.74 HTT (0.75) NPSR1LMNATSHRHTTCYP11B2
SCHEMBL8810297 0.73 PTGIR (0.44) MAPK14MAPK13MAPK12MAPK11PTGS2

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
US-7427616-B2 Condensed pyridines and pyrimidines with tie2 (TEK) activity ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 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-20050256140-A1 Condensed pyridines and pyrimidines with tie2 (tek) activity TIE1, TEK, KDR TEK 2/4885MAPK14 3236/4885MAPK13 3101/4885

“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.