SCHEMBL5094618

SCHEMBL5094618

CN(C)CCC(=O)Nc1cnc2[nH]cc(C=C3N=C(NC4CC5CCC4C5)NC3=O)c2c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 3/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ TERT O14746 2/20 0.33
▸ FLT3 P36888 1/20 0.30
▸ RET P07949 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
SCHEMBL5094661 0.83 HRH4 (0.35) JAK2JAK1JAK3BTK
SCHEMBL5094659 0.83 HRH4 (0.35) JAK2JAK1JAK3BTK
SCHEMBL5094609 0.79 BTK (0.35) BTK
SCHEMBL5101110 0.79 DYRK1A (0.47) FLT3
SCHEMBL5101113 0.79 DYRK1A (0.47) FLT3
SCHEMBL5100722 0.77 DYRK1A (0.40) FLT3
SCHEMBL5100717 0.77 DYRK1A (0.40) FLT3
SCHEMBL5094531 0.76 HPGDS (0.42) BTKHPGDSTERTFLT3
SCHEMBL5095296 0.75 BTK (0.37) BTK
Hydrochloric Acid SCHEMBL5101179 0.74 RET (0.48) JAK2JAK1JAK3RET

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 JAK2 542/4885JAK1 246/4885JAK3 277/4885

“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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