SCHEMBL5094609

SCHEMBL5094609

CCCC(=O)Nc1cnc2[nH]cc(C=C3N=C(NC4CN5CCC4CC5)NC3=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.35
▸ OPRK1 P41145 1/20 0.33
▸ KAT2B Q92831 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PAK1 Q13153 2/20 0.32
▸ CHRNA7 P36544 5/20 0.32
▸ CLK2 P49760 2/20 0.31
▸ DYRK1A Q13627 2/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ DYRK1B Q9Y463 2/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ DAPK3 O43293 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ PRKACA P17612 1/20 0.31
▸ FLT1 P17948 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK8 P49336 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CDK9 P50750 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
SCHEMBL5095296 0.91 BTK (0.37) BTKKAT2BCHRNA7CLK2
SCHEMBL5094534 0.88 BTK (0.38) BTKKAT2BCHRNA7
SCHEMBL5089637 0.86 DYRK1A (0.34) BTKKAT2BCLK2DYRK1ACLK4
SCHEMBL5089640 0.86 DYRK1A (0.34) BTKKAT2BCLK2DYRK1ACLK4
SCHEMBL5094618 0.79 JAK2 (0.34) BTK
Trifluoroacetic Acid SCHEMBL5101109 0.75 CHEK1 (0.37) CHRNA7CDC7CDK9
Trifluoroacetic Acid SCHEMBL5095487 0.75 CHEK1 (0.37) CHRNA7CDC7CDK9
Trifluoroacetic Acid SCHEMBL5095507 0.75 CHEK1 (0.37) CHRNA7CDC7CDK9
Trifluoroacetic Acid SCHEMBL5101132 0.75 CHEK1 (0.37) CHRNA7CDC7CDK9
SCHEMBL5094661 0.75 HRH4 (0.35) BTKCLK2DYRK1ACLK4DYRK1B

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 BTK 444/4885OPRK1 1641/4885KAT2B 1686/4885

“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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