SCHEMBL4831389

SCHEMBL4831389

COc1cncc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.52
CLK1 P49759 4/20 0.52
NTRK1 P04629 2/20 0.51
KIT P10721 7/20 0.48
NEK1 Q96PY6 1/20 0.46
ABL1 P00519 1/20 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
SCHEMBL4829375 0.89 DYRK1A (0.42) DYRK1ACLK1NTRK1KITNEK1
SCHEMBL4827652 0.87 NEK1 (0.45) DYRK1ANTRK1KITNEK1ABL1
SCHEMBL4831106 0.86 NTRK1 (0.46) DYRK1ACLK1NTRK1KITNEK1
SCHEMBL4298090 0.85 DYRK1A (0.53) DYRK1ACLK1NTRK1KITNEK1
SCHEMBL4827380 0.85 NTRK1 (0.50) NTRK1KITNEK1
SCHEMBL4831294 0.85 AXL (0.56) DYRK1ANTRK1ABL1
SCHEMBL4832683 0.83 MAPK1 (0.44) DYRK1ACLK1NTRK1KIT
SCHEMBL4829123 0.82 NTRK1 (0.52) DYRK1ACLK1NTRK1KIT
SCHEMBL4823835 0.82 MAP3K11 (0.47) DYRK1ACLK1KITABL1
SCHEMBL4829477 0.82 CDK2 (0.43) DYRK1ANTRK1KITABL1

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 DYRK1A 832/4885CLK1 444/4885NTRK1 1926/4885

“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.