SCHEMBL5095374

SCHEMBL5095374

CN1CCC(C(=O)Nc2cnc3[nH]cc(C=C4N=C(NC5CCCCC5)NC4=O)c3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 10/20 0.37
▸ GSK3B P49841 8/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK2 P49760 2/20 0.34
▸ CLK3 P49761 2/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ STK17B O94768 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK4 Q9NR20 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ TLK2 Q86UE8 2/20 0.33

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
SCHEMBL5095363 1.00 DYRK1A (0.37) DYRK1AGSK3BKDM4EALDH1A1HPGD
SCHEMBL5089640 0.87 DYRK1A (0.34) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5089637 0.87 DYRK1A (0.34) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5094659 0.86 HRH4 (0.35) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5094661 0.86 HRH4 (0.35) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5089632 0.85 DYRK1A (0.35) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5089635 0.85 DYRK1A (0.35) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5095408 0.85 DYRK1A (0.50) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5095406 0.85 DYRK1A (0.50) DYRK1AGSK3BCLK2CLK3DYRK3
SCHEMBL5101129 0.84 FLT3 (0.40) DYRK1AGSK3BCLK1BTKFLT3

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-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 — — US claimed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 — — US claimed
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 — — US disclosed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 — — 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 (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-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K6, MAP3K1 DYRK1A 308/4885GSK3B 203/4885KDM4E 405/4885

“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.

Send feedback