SCHEMBL2956309

SCHEMBL2956309

CC#CCn1cnc2ccnc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK4 Q9NR20 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
AHCY P23526 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DPP4 P27487 2/20 0.30
DPP8 Q6V1X1 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL2952808 0.75 DYRK3 (0.33) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL10741783 0.70 DPP4 (0.41) DPP4DPP8
SCHEMBL29393193 0.70 DPP4 (0.41) DPP4DPP8
SCHEMBL22533662 0.70 CYP11B1 (0.38) DPP4KCNH2
SCHEMBL29424864 0.70 CYP11B1 (0.38) DPP4KCNH2
SCHEMBL17212882 0.69 DGAT1 (0.35) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL21299391 0.68 DYRK3 (0.31) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL24476345 0.67 DYRK1A (0.44) DYRK1A
SCHEMBL3875626 0.67 RXFP1 (0.41) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL9316686 0.66 PPARG (0.44) GSK3BDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US 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 (3 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 DYRK3 3584/4885CLK1 1155/4885CLK2 228/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DYRK3 2782/4885CLK1 1604/4885CLK2 772/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DYRK3 2782/4885CLK1 1604/4885CLK2 772/4885

“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.