SCHEMBL5094534

SCHEMBL5094534

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.38
▸ CHRNA7 P36544 4/20 0.31
▸ KAT2B Q92831 1/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.30
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ WEE1 P30291 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
SCHEMBL5095296 0.90 BTK (0.37) BTKCHRNA7KAT2B
SCHEMBL5094609 0.88 BTK (0.35) BTKCHRNA7KAT2B
SCHEMBL5089637 0.87 DYRK1A (0.34) BTKKAT2B
SCHEMBL5089640 0.87 DYRK1A (0.34) BTKKAT2B
Trifluoroacetic Acid SCHEMBL5101109 0.76 CHEK1 (0.37) CHRNA7HTR3A
Trifluoroacetic Acid SCHEMBL5101132 0.76 CHEK1 (0.37) CHRNA7HTR3A
Trifluoroacetic Acid SCHEMBL5095507 0.76 CHEK1 (0.37) CHRNA7HTR3A
Trifluoroacetic Acid SCHEMBL5095487 0.76 CHEK1 (0.37) CHRNA7HTR3A
SCHEMBL5094661 0.75 HRH4 (0.35) BTK
SCHEMBL5094659 0.75 HRH4 (0.35) BTK

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 3 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-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 444/4885CHRNA7 3459/4885KAT2B 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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