SCHEMBL5155708

SCHEMBL5155708

N#Cc1ccc(-c2cncnc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.57
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.51
MAP4K4 O95819 4/20 0.49
CYP11B2 P19099 5/20 0.45
SLC22A12 Q96S37 3/20 0.44
CYP11B1 P15538 2/20 0.43
MINK1 Q8N4C8 1/20 0.42
TNIK Q9UKE5 1/20 0.42
XDH P47989 1/20 0.42
CYP19A1 P11511 1/20 0.42
LIMK1 P53667 1/20 0.42
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
TEK Q02763 1/20 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
SCHEMBL30046342 0.91 LCK (0.53) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL30046107 0.78 MAP4K4 (0.49) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL31579276 0.77 CYP19A1 (0.48) CYP11B2CYP11B1XDHCYP19A1
SCHEMBL30046676 0.77 DGAT1 (0.62) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL30782543 0.77 DGAT1 (0.62) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL2424040 0.77 DGAT1 (0.62) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL7006231 0.77 DGAT1 (0.67) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL6068337 0.76 DGAT1 (0.61) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL1270834 0.76 KDM4E (0.64) DGAT1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL27310588 0.74 MKNK1 (0.54) MAP4K4CYP11B2SLC22A12MINK1TNIK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 US claimed
EP-1771418-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 EP claimed
WO-2005115984-A2 LARGE CONDUCTANCE CALCIUM-ACTIVITATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 WO claimed
US-20070185116-A1 Bicyclic compounds TANABE SEIYAKU CO., LTD. (JP) 2007-08-09 US disclosed
EP-1771418-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2007-04-11 EP disclosed
WO-2005115984-A2 LARGE CONDUCTANCE CALCIUM-ACTIVITATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-12-08 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-20070185116-A1 Bicyclic compounds KCNN3, KCNJ1, KCNJ2 DGAT1 4746/4885MEN1 2839/4885CYP1A2 1927/4885

“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.