SCHEMBL4824150

SCHEMBL4824150

Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(-c4ccccn4)cc23)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.45
CCNT1 O60563 5/20 0.45
CCNA2 P20248 5/20 0.45
CDK9 P50750 5/20 0.45
AXL P30530 9/20 0.44
CDK8 P49336 1/20 0.41
TNIK Q9UKE5 1/20 0.41
ROCK2 O75116 3/20 0.41
GSK3B P49841 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
MAP4K4 O95819 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
CDC7 O00311 2/20 0.41
PIM1 P11309 2/20 0.41
PRKACA P17612 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
NTRK1 P04629 3/20 0.41
DYRK3 O43781 2/20 0.41
PRKD3 O94806 2/20 0.41
ABL1 P00519 2/20 0.41

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
SCHEMBL4829477 0.89 CDK2 (0.43) CDK2CCNT1CCNA2CDK9AXL
SCHEMBL4831178 0.88 CCNT1 (0.48) CDK2CCNT1CCNA2CDK9NTRK1
SCHEMBL4831294 0.88 AXL (0.56) AXLCDK8TNIKROCK2GSK3B
SCHEMBL4832861 0.87 CDK2 (0.44) CDK2CCNT1CCNA2CDK9AXL
SCHEMBL14002298 0.86 CCNT1 (0.40) CDK2CCNT1CCNA2CDK9AXL
SCHEMBL4827380 0.86 NTRK1 (0.50) CDK2CCNT1CCNA2CDK9AXL
SCHEMBL4829456 0.85 NTRK1 (0.46) CDK2CCNT1CCNA2CDK9PIM1
SCHEMBL4831106 0.85 NTRK1 (0.46) CDK2CCNT1CCNA2CDK9NTRK1
SCHEMBL4298090 0.84 DYRK1A (0.53) CDK2CCNT1CCNA2CDK9AXL
SCHEMBL4829590 0.84 CDC7 (0.51) CDK2CCNT1CCNA2CDK9CDK8

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 CDK2 82/4885CCNT1 1043/4885CCNA2 681/4885

“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.