SCHEMBL5101129

SCHEMBL5101129

CN1CCC(C(=O)Nc2cnc3[nH]cc(/C=C4/N=C(NCc5ccccc5)NC4=O)c3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 1/20 0.40
▸ CTNNB1 P35222 13/20 0.38
▸ TCF7L2 Q9NQB0 13/20 0.38
▸ BTK Q06187 1/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ GSK3B P49841 2/20 0.37
▸ GSK3A P49840 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 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
SCHEMBL5101133 1.00 FLT3 (0.40) FLT3CTNNB1TCF7L2BTKDYRK1A
SCHEMBL5089548 0.88 BTK (0.36) FLT3CTNNB1TCF7L2BTKDYRK1A
SCHEMBL4874129 0.87 MKNK1 (0.38) BTKDYRK1ACLK1GSK3BGSK3A
SCHEMBL4874122 0.87 MKNK1 (0.38) BTKDYRK1ACLK1GSK3BGSK3A
SCHEMBL5094445 0.86 MKNK1 (0.42) FLT3DYRK1AGSK3BGSK3AMKNK1
SCHEMBL5094441 0.86 MKNK1 (0.42) FLT3DYRK1AGSK3BGSK3AMKNK1
Hydrochloric Acid SCHEMBL5089751 0.85 CDC7 (0.40) FLT3BTKDYRK1AGSK3BGSK3A
Hydrochloric Acid SCHEMBL5089735 0.85 CDC7 (0.40) FLT3BTKDYRK1AGSK3BGSK3A
SCHEMBL5095265 0.84 CLK1 (0.50) FLT3DYRK1ACLK1
SCHEMBL5095269 0.84 CLK1 (0.50) FLT3DYRK1ACLK1

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 2 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 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 FLT3 590/4885CTNNB1 1012/4885TCF7L2 2235/4885

“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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