SCHEMBL4831469

SCHEMBL4831469

Oc1cccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.46
DYRK1A Q13627 5/20 0.45
KIT P10721 2/20 0.45
CLK1 P49759 2/20 0.45
DYRK2 Q92630 2/20 0.45
DYRK1B Q9Y463 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
BTK Q06187 1/20 0.44
ITK Q08881 1/20 0.44
AXL P30530 3/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
CDK8 P49336 1/20 0.44
TNIK Q9UKE5 1/20 0.44
NTRK1 P04629 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
SCHEMBL4831294 0.90 AXL (0.56) DYRK1ABTKAXLCLK2CLK4
SCHEMBL12763344 0.90 KIT (0.53) DYRK1AKITCLK1DYRK2DYRK1B
SCHEMBL4831086 0.88 KIT (0.61) DYRK1AKITCLK1CCNT1CCNA2
SCHEMBL4831134 0.87 DYRK1A (0.42) CDC7DYRK1AKITCLK1DYRK2
SCHEMBL4298090 0.86 DYRK1A (0.53) CDC7DYRK1AKITCLK1CCNT1
SCHEMBL4832683 0.86 MAPK1 (0.44) DYRK1AKITCLK1DYRK2DYRK1B
SCHEMBL4827652 0.86 NEK1 (0.45) DYRK1AKITCCNT1CCNA2CDK2
SCHEMBL4827380 0.86 NTRK1 (0.50) KITCCNT1CCNA2CDK2CDK9
SCHEMBL4302695 0.85 NTRK1 (0.58) KITCCNT1CCNA2CDK2CDK9
SCHEMBL4823835 0.85 MAP3K11 (0.47) DYRK1AKITCLK1DYRK2DYRK1B

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 CDC7 276/4885DYRK1A 832/4885KIT 1325/4885

“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.