SCHEMBL4831476

SCHEMBL4831476

Fc1cccc(-n2cnnc2-c2c[nH]c3ncc(-c4ccc(CN5CCOCC5)cc4)cc23)c1F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.54
TNIK Q9UKE5 12/20 0.49
MAP3K11 Q16584 7/20 0.46
MAP3K9 P80192 1/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
ABL1 P00519 1/20 0.44
INSR P06213 1/20 0.44
CDK2 P24941 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL4829279 0.86 MAP4K1 (0.53) MAP4K1MAP3K11
SCHEMBL4827257 0.82 MAP4K1 (0.53) MAP4K1TNIKFLT3
SCHEMBL4831605 0.81 NTRK1 (0.47) TNIK
SCHEMBL4831036 0.81 MAPK1 (0.45) TNIKMAP3K11ABL1FLT3
SCHEMBL4829553 0.80 MAPK8 (0.50) TNIKMAP3K11
SCHEMBL5778888 0.80 TNKS (0.42) CDK2
SCHEMBL4824548 0.80 MAP4K1 (0.43) MAP4K1TNIKMAP3K11
SCHEMBL4832851 0.79 MAP4K1 (0.57) MAP4K1TNIKMAP3K11MAP3K9IKBKB
SCHEMBL4825424 0.79 MAP4K1 (0.44) MAP4K1TNIKMAP3K11MAP3K9
SCHEMBL4829240 0.78 MAP4K1 (0.52) MAP4K1MAP3K11

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 33/4885TNIK 146/4885MAP3K11 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.