SCHEMBL5089548

SCHEMBL5089548

CN1C=CC(C(=O)Nc2cnc3[nH]cc(C=C4N=C(NCc5ccccc5)NC4=O)c3c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.36
▸ CLK1 P49759 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ CDK9 P50750 4/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ DYRK3 O43781 2/20 0.31
▸ CLK2 P49760 2/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ IP6K1 Q92551 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ DYRK4 Q9NR20 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ TCF7L2 Q9NQB0 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PRKD3 O94806 1/20 0.30
▸ MAP4K4 O95819 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
SCHEMBL5101133 0.88 FLT3 (0.40) BTKCLK1DYRK1AGSK3BCTNNB1
SCHEMBL5101129 0.88 FLT3 (0.40) BTKCLK1DYRK1AGSK3BCTNNB1
Hydrochloric Acid SCHEMBL5089751 0.82 CDC7 (0.40) BTKDYRK1ADYRK3CLK2GSK3B
Hydrochloric Acid SCHEMBL5089735 0.82 CDC7 (0.40) BTKDYRK1ADYRK3CLK2GSK3B
SCHEMBL5095265 0.80 CLK1 (0.50) CLK1DYRK1AMAPK1EGFRLCK
SCHEMBL5095269 0.80 CLK1 (0.50) CLK1DYRK1AMAPK1EGFRLCK
SCHEMBL5094580 0.79 DYRK1A (0.43) CLK1DYRK1ADYRK3CLK2GSK3B
SCHEMBL5094578 0.79 DYRK1A (0.43) CLK1DYRK1ADYRK3CLK2GSK3B
SCHEMBL5089827 0.76 IP6K1 (0.38) CLK1DYRK1ADYRK3CLK2GSK3B
SCHEMBL5089833 0.76 IP6K1 (0.38) CLK1DYRK1ADYRK3CLK2GSK3B

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 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

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 BTK 444/4885CLK1 430/4885DYRK1A 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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