SCHEMBL2952808

SCHEMBL2952808

CC#CCn1c(Cl)nc2ccnc(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 1/20 0.33
CLK1 P49759 1/20 0.33
CLK2 P49760 1/20 0.33
CLK3 P49761 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK2 Q92630 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK4 Q9NR20 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HSP90B1 P14625 1/20 0.32
DPP4 P27487 3/20 0.31
LMNA P02545 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
SCHEMBL2956309 0.75 DYRK3 (0.36) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL13200995 0.73 SMN1; SMN2 (0.47) LMNA
SCHEMBL3875626 0.71 RXFP1 (0.41) DYRK3CLK1CLK2CLK3GSK3B
SCHEMBL13199946 0.71 SMN1; SMN2 (0.46) LMNA
SCHEMBL2962657 0.68 DPP4 (0.37) DPP4
SCHEMBL336489 0.66 KDM4E (0.47) DYRK1ADYRK2
SCHEMBL16461463 0.63 BACE1 (0.40)
SCHEMBL31447620 0.63 DPP4 (0.41) DYRK1ADPP4LMNA
SCHEMBL18399948 0.61 BACE1 (0.32)
SCHEMBL556689 0.61 CYP1A2 (0.62) DPP4LMNA

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.