Sugi Predict

Sugi Predict / Compounds / SCHEMBL4831235

SCHEMBL4831235

SCHEMBL4831235

O=C(Cc1cccc(F)c1F)c1c[nH]c2ncc(CO)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 4/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ MAP4K4 O95819 3/20 0.43
▸ ABL1 P00519 3/20 0.43
▸ LCK P06239 3/20 0.43
▸ FYN P06241 3/20 0.43
▸ CSF1R P07333 3/20 0.43
▸ LYN P07948 3/20 0.43
▸ SRC P12931 3/20 0.43
▸ FLT3 P36888 3/20 0.43
▸ FRK P42685 3/20 0.43
▸ CLK2 P49760 3/20 0.43
▸ BLK P51451 3/20 0.43
▸ PTK6 Q13882 3/20 0.43
▸ MINK1 Q8N4C8 3/20 0.43
▸ SLK Q9H2G2 3/20 0.43
▸ MAP4K5 Q9Y4K4 3/20 0.43
▸ DYRK3 O43781 2/20 0.43
▸ PRKD3 O94806 2/20 0.43
▸ EGFR P00533 2/20 0.43

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
SCHEMBL4828081 0.88 DYRK1A (0.39) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL4831382 0.86 BRAF (0.47) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL4828071 0.81 AXL (0.39) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL4831413 0.81 MAP2K1 (0.50) CDK2BRAFMAP2K1
SCHEMBL8291682 0.81 DCLK1 (0.38) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL4829365 0.78 BTK (0.36) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL4827653 0.78 GSK3A (0.39) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL14002577 0.78 FFAR1 (0.41) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL4827683 0.78 FFAR1 (0.41) AXLGSK3BMAP4K4ABL1LCK
SCHEMBL4831224 0.78 CYP2C9 (0.42) AXLGSK3BMAP4K4ABL1LCK

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 1103/4885GSK3B 334/4885MAP4K4 45/4885

“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.