SCHEMBL4829240

SCHEMBL4829240

Fc1cccc(-n2cnnc2-c2c[nH]c3ncc(-c4ccc(N5CCNCC5)nc4)cc23)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.52
IL2 P60568 3/20 0.52
MAP3K11 Q16584 3/20 0.52
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
CNR2 P34972 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC2 Q92769 2/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL4824548 0.93 MAP4K1 (0.43) MAP4K1IL2MAP3K11CNR2PIK3CD
SCHEMBL5262955 0.91 MAP4K1 (0.53) MAP4K1IL2MAP3K11TDO2
SCHEMBL4829279 0.91 MAP4K1 (0.53) MAP4K1IL2MAP3K11CNR2PIK3CD
SCHEMBL4827226 0.90 MAP4K1 (0.41) MAP4K1IL2MAP3K11CNR2PIK3CD
SCHEMBL4831565 0.90 MAP4K1 (0.42) MAP4K1IL2MAP3K11CNR2PIK3CD
SCHEMBL4827256 0.89 MAP4K1 (0.41) MAP4K1IL2MAP3K11CNR2PIK3CD
SCHEMBL4831222 0.89 MAP4K1 (0.44) MAP4K1IL2MAP3K11CNR2PIK3CD
SCHEMBL4825424 0.89 MAP4K1 (0.44) MAP4K1IL2MAP3K11CNR2CYP2C9
SCHEMBL4827498 0.88 MAP4K1 (0.51) MAP4K1IL2MAP3K11CYP2C9CYP2C19
SCHEMBL4823278 0.88 MAP4K1 (0.39) MAP4K1IL2MAP3K11KCNH2CNR2

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 MAP4K1 33/4885IL2 4627/4885MAP3K11 26/4885

“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.