Sugi Predict

Sugi Predict / Compounds / SCHEMBL4827417

SCHEMBL4827417

SCHEMBL4827417

O=C(Cc1cccc(F)c1F)c1c[nH]c2ncc(C3CCC(NCc4ccccc4)CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.41
▸ JAK1 P23458 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ DCLK1 O15075 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ MARK3 P27448 1/20 0.37

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
SCHEMBL14382533 0.92 BTK (0.45) BTKJAK1JAK2TYK2JAK3
SCHEMBL4829365 0.85 BTK (0.36) BTKJAK1JAK2TYK2JAK3
SCHEMBL4831421 0.83 BRAF (0.40) BTKJAK1JAK2TYK2JAK3
SCHEMBL14002548 0.82 CCNT1 (0.41) BTKDCLK1DYRK3ROCK2PRKD3
SCHEMBL4827683 0.78 FFAR1 (0.41) BTKDCLK1DYRK3ROCK2PRKD3
SCHEMBL14002577 0.78 FFAR1 (0.41) BTKDCLK1DYRK3ROCK2PRKD3
SCHEMBL4831235 0.76 AXL (0.43) BTKDCLK1DYRK3ROCK2PRKD3
SCHEMBL4831382 0.74 BRAF (0.47) BTKJAK2JAK3DCLK1DYRK3
SCHEMBL4824582 0.73 CXCR2 (0.42) BTKJAK1JAK2TYK2JAK3
SCHEMBL8291672 0.73 CXCR2 (0.42) BTKJAK1JAK2TYK2JAK3

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 6 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
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 BTK 193/4885JAK1 150/4885JAK2 206/4885

“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.