Sugi Predict

Sugi Predict / Compounds / SCHEMBL4823302

SCHEMBL4823302

SCHEMBL4823302

O=c1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 10/20 0.42
▸ CDK8 P49336 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ DYRK1A Q13627 4/20 0.40
▸ BTK Q06187 2/20 0.40
▸ CLK2 P49760 2/20 0.40
▸ CLK4 Q9HAZ1 2/20 0.40
▸ DCLK1 O15075 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ LYN P07948 1/20 0.40

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
SCHEMBL4832683 0.87 MAPK1 (0.44) AXLCDK8TNIKDYRK1ACLK2
SCHEMBL4831294 0.87 AXL (0.56) AXLCDK8TNIKDYRK1ABTK
SCHEMBL4829123 0.86 NTRK1 (0.52) AXLCDK8TNIKDYRK1ANTRK1
SCHEMBL4827380 0.85 NTRK1 (0.50) AXLCDK8TNIKNTRK1KIT
SCHEMBL4827652 0.85 NEK1 (0.45) AXLCDK8TNIKDYRK1ABTK
SCHEMBL4823835 0.84 MAP3K11 (0.47) AXLCDK8TNIKDYRK1AABL1
SCHEMBL14002356 0.84 MAP3K11 (0.53) AXLDYRK1ACLK2CLK4DYRK3
SCHEMBL4829477 0.84 CDK2 (0.43) AXLCDK8TNIKDYRK1ABTK
SCHEMBL4824053 0.83 KIT (0.50) AXLCDK8TNIKDYRK1ANTRK1
SCHEMBL4831608 0.83 MAPK8 (0.53) AXLCDK8TNIKDYRK1ANTRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
US-7446199-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 — — US disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
EP-1664043-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2007-11-14 — — EP disclosed
US-20050137201-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-06-23 — — US disclosed
WO-2005028475-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-31 — — WO 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-20050137201-A1 Compositions useful as inhibitors of protein kinases MAP3K20, PACSIN2, MAP3K6 AXL 1103/4885CDK8 273/4885TNIK 146/4885

“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.