SCHEMBL4832730

SCHEMBL4832730

Fc1cccc(-n2cnnc2-c2c[nH]c3ncccc23)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.45
CDC7 O00311 7/20 0.45
ROCK2 O75116 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
MAP4K4 O95819 1/20 0.45
PIM1 P11309 1/20 0.45
PRKACA P17612 1/20 0.45
GSK3B P49841 1/20 0.45
HIPK2 Q9H2X6 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.45
TGFBR1 P36897 3/20 0.42
CDK1 P06493 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNB2 O95067 1/20 0.41
RET P07949 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CCNE1 P24864 7/20 0.41
DBF4 Q9UBU7 4/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL4831383 0.84 DYRK1A (0.49) CDK2CDC7ROCK2CLK4MAP4K4
SCHEMBL14002241 0.83 P2RX7 (0.47) CDK2CDC7ROCK2CLK4MAP4K4
SCHEMBL4833142 0.83 PRKD3 (0.46) CDK2ROCK2CLK4MAP4K4PIM1
SCHEMBL4831605 0.81 NTRK1 (0.47) PDPK1CDK8DYRK1A
SCHEMBL4832788 0.80 DYRK1A (0.39) ROCK2CLK4MAP4K4GSK3BIRAK4
SCHEMBL4831674 0.80 KCNN4 (0.45) CDK2CDC7ROCK2CLK4MAP4K4
SCHEMBL8290063 0.80 CDK2 (0.45) CDK2CDC7ROCK2CLK4MAP4K4
SCHEMBL4831036 0.79 MAPK1 (0.45) ROCK2CLK4MAP4K4GSK3BIRAK4
SCHEMBL986259 0.77 ALDH1A1 (0.41) MAP4K4LRRK2KDM4E
SCHEMBL4829553 0.77 MAPK8 (0.50) PDPK1CDK8DYRK1ADYRK1BCAMKK2

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 82/4885CDC7 276/4885ROCK2 370/4885

“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.