SCHEMBL5094445

SCHEMBL5094445

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.42
▸ GSK3B P49841 10/20 0.42
▸ DYRK1A Q13627 9/20 0.42
▸ GSK3A P49840 2/20 0.41
▸ PIP5K1C O60331 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ ABL1 P00519 2/20 0.39
▸ WNT1 P04628 3/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ LIMK2 P53671 1/20 0.37
▸ TP53BP1 Q12888 1/20 0.37

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
SCHEMBL5094441 1.00 MKNK1 (0.42) MKNK1GSK3BDYRK1AGSK3APIP5K1C
SCHEMBL5101133 0.86 FLT3 (0.40) MKNK1GSK3BDYRK1AGSK3ACDK2
SCHEMBL5101129 0.86 FLT3 (0.40) MKNK1GSK3BDYRK1AGSK3ACDK2
SCHEMBL4874122 0.86 MKNK1 (0.38) MKNK1GSK3BDYRK1AGSK3APIP5K1C
SCHEMBL4874129 0.86 MKNK1 (0.38) MKNK1GSK3BDYRK1AGSK3APIP5K1C
SCHEMBL5094463 0.83 DYRK1A (0.54) GSK3BDYRK1AGSK3AFLT3
SCHEMBL5101082 0.83 DYRK1A (0.54) GSK3BDYRK1AGSK3AFLT3
SCHEMBL5089609 0.82 DYRK1A (0.46) GSK3BDYRK1AGSK3AWNT1FLT3
SCHEMBL5089612 0.82 DYRK1A (0.46) GSK3BDYRK1AGSK3AWNT1FLT3
SCHEMBL5095374 0.82 DYRK1A (0.37) GSK3BDYRK1AABL1WNT1FLT3

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 68/4885GSK3B 203/4885DYRK1A 308/4885

“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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