SCHEMBL4831294

SCHEMBL4831294

Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccccc4)cc23)c1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 10/20 0.56
CDK8 P49336 4/20 0.56
TNIK Q9UKE5 1/20 0.56
SGK1 O00141 2/20 0.50
NTRK1 P04629 2/20 0.49
MAP3K11 Q16584 1/20 0.48
DCLK1 O15075 1/20 0.48
DYRK3 O43781 1/20 0.48
ROCK2 O75116 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
EGFR P00533 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CDK1 P06493 1/20 0.48
CSF1R P07333 1/20 0.48
LYN P07948 1/20 0.48
SRC P12931 1/20 0.48
MARK3 P27448 1/20 0.48

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
SCHEMBL4827380 0.92 NTRK1 (0.50) AXLCDK8TNIKNTRK1
SCHEMBL4829123 0.91 NTRK1 (0.52) AXLCDK8TNIKSGK1NTRK1
SCHEMBL4298090 0.90 DYRK1A (0.53) AXLCDK8TNIKNTRK1ROCK2
SCHEMBL4831086 0.90 KIT (0.61) NTRK1DYRK1A
SCHEMBL4831469 0.90 CDC7 (0.46) AXLCDK8TNIKNTRK1CLK2
SCHEMBL4832683 0.89 MAPK1 (0.44) AXLCDK8TNIKSGK1NTRK1
SCHEMBL4827652 0.89 NEK1 (0.45) AXLCDK8TNIKNTRK1DCLK1
SCHEMBL4823835 0.89 MAP3K11 (0.47) AXLCDK8TNIKMAP3K11ABL1
SCHEMBL4829477 0.88 CDK2 (0.43) AXLCDK8TNIKNTRK1DCLK1
SCHEMBL4824053 0.88 KIT (0.50) AXLCDK8TNIKSGK1NTRK1

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
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

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.