SCHEMBL4827463

SCHEMBL4827463

CN(C)Cc1ccc(-c2cnc3[nH]cc(-c4oncc4-c4cccc(F)c4F)c3c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.45
TNIK Q9UKE5 6/20 0.45
DYRK1A Q13627 2/20 0.43
AXL P30530 2/20 0.42
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
BTK Q06187 1/20 0.41
ITK Q08881 1/20 0.41
MAP3K11 Q16584 1/20 0.41
CDK8 P49336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
KIT P10721 3/20 0.39
CLK1 P49759 1/20 0.39
DYRK2 Q92630 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL4832675 0.90 PIM1 (0.40) SGK1TNIKDYRK1AAXLPIM1
SCHEMBL4824437 0.90 PIM1 (0.39) SGK1TNIKDYRK1AAXLPIM1
SCHEMBL4831608 0.88 MAPK8 (0.53) SGK1TNIKDYRK1AAXLMAP3K11
SCHEMBL4827483 0.88 PIM1 (0.40) SGK1TNIKDYRK1APIM1PIM3
SCHEMBL4831494 0.86 PIM1 (0.39) SGK1TNIKDYRK1AAXLPIM1
SCHEMBL4831294 0.85 AXL (0.56) SGK1TNIKDYRK1AAXLBTK
SCHEMBL4829123 0.85 NTRK1 (0.52) SGK1TNIKDYRK1AAXLPIM1
SCHEMBL14382483 0.84 BTK (0.38) TNIKDYRK1AAXLPIM1PIM3
SCHEMBL4832683 0.84 MAPK1 (0.44) SGK1TNIKDYRK1AAXLMAP3K11
SCHEMBL4827380 0.84 NTRK1 (0.50) TNIKAXLCDK8KITNTRK1

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
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 SGK1 126/4885TNIK 146/4885DYRK1A 832/4885

“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.