Sugi Predict

Sugi Predict / Compounds / SCHEMBL4831421

SCHEMBL4831421

SCHEMBL4831421

CN(C)C1CCC(c2cnc3[nH]cc(C(=O)Cc4cccc(F)c4F)c3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 4/20 0.40
▸ SLC6A4 P31645 2/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ BTK Q06187 3/20 0.35
▸ IRAK4 Q9NWZ3 3/20 0.35
▸ DCLK1 O15075 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ PRKD3 O94806 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ LYN P07948 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ MARK3 P27448 1/20 0.35

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
SCHEMBL4829365 0.88 BTK (0.36) BRAFPAK1BTKIRAK4DCLK1
SCHEMBL4827417 0.83 BTK (0.41) BRAFPAK1BTKIRAK4DCLK1
SCHEMBL4827683 0.79 FFAR1 (0.41) PAK1BTKIRAK4DCLK1DYRK3
SCHEMBL14002577 0.79 FFAR1 (0.41) PAK1BTKIRAK4DCLK1DYRK3
SCHEMBL4828081 0.79 DYRK1A (0.39) BRAFPAK1BTKIRAK4DCLK1
SCHEMBL4831382 0.77 BRAF (0.47) BRAFPAK1BTKIRAK4DCLK1
SCHEMBL4824582 0.77 CXCR2 (0.42) BRAFPAK1BTKIRAK4DCLK1
SCHEMBL8291672 0.77 CXCR2 (0.42) BRAFPAK1BTKIRAK4DCLK1
SCHEMBL14382533 0.77 BTK (0.45) BRAFPAK1BTKAXLCYP3A4
SCHEMBL4831235 0.76 AXL (0.43) BRAFPAK1BTKIRAK4DCLK1

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 9 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
EP-1664043-A2 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — 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
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 BRAF 49/4885SLC6A4 4847/4885PAK1 111/4885

“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.