SCHEMBL5095276

SCHEMBL5095276

CN1CCC(C(=O)Nc2cnc3[nH]cc(C=C4N=C(NC(CN5CCCC5)c5ccccc5)NC4=O)c3c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.34
▸ LIMK2 P53671 2/20 0.33
▸ GSK3B P49841 5/20 0.33
▸ DYRK1A Q13627 4/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ RPS6KB1 P23443 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ FLT3 P36888 1/20 0.32
▸ PAK1 Q13153 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ PIP5K1C O60331 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ GSK3A P49840 1/20 0.32
▸ PDE5A O76074 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL5095275 1.00 MKNK1 (0.34) MKNK1LIMK2GSK3BDYRK1AROCK2
SCHEMBL4874129 0.89 MKNK1 (0.38) MKNK1LIMK2GSK3BDYRK1ABTK
SCHEMBL4874122 0.89 MKNK1 (0.38) MKNK1LIMK2GSK3BDYRK1ABTK
SCHEMBL5101133 0.84 FLT3 (0.40) MKNK1GSK3BDYRK1AFLT3BTK
SCHEMBL5101129 0.84 FLT3 (0.40) MKNK1GSK3BDYRK1AFLT3BTK
SCHEMBL5094445 0.81 MKNK1 (0.42) MKNK1LIMK2GSK3BDYRK1AFLT3
SCHEMBL5094441 0.81 MKNK1 (0.42) MKNK1LIMK2GSK3BDYRK1AFLT3
SCHEMBL5095363 0.80 DYRK1A (0.37) GSK3BDYRK1AFLT3BTKWNT1
SCHEMBL5095374 0.80 DYRK1A (0.37) GSK3BDYRK1AFLT3BTKWNT1
SCHEMBL5101465 0.78 CHEK1 (0.42) GSK3BDYRK1AROCK2ROCK1RPS6KB1

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 MKNK1 68/4885LIMK2 652/4885GSK3B 203/4885

“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.

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