Sugi Predict

Sugi Predict / Compounds / SCHEMBL4824437

SCHEMBL4824437

SCHEMBL4824437

CN(C)Cc1cnc2[nH]cc(-c3oncc3-c3cccc(F)c3F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ DYRK1B Q9Y463 1/20 0.38
▸ BTK Q06187 4/20 0.37
▸ ITK Q08881 2/20 0.37
▸ DYRK1A Q13627 7/20 0.37
▸ BCAT1 P54687 1/20 0.37
▸ PRKD3 O94806 3/20 0.37
▸ MAP4K4 O95819 3/20 0.37
▸ FLT3 P36888 3/20 0.37
▸ CLK2 P49760 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ MAP4K2 Q12851 3/20 0.37
▸ CAMK2D Q13557 3/20 0.37
▸ PKN2 Q16513 3/20 0.37
▸ MINK1 Q8N4C8 3/20 0.37
▸ STK17A Q9UEE5 3/20 0.37
▸ MAP4K5 Q9Y4K4 3/20 0.37
▸ NTRK1 P04629 3/20 0.37

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
SCHEMBL4827463 0.90 SGK1 (0.45) PIM1PIM3PIM2DYRK1BBTK
SCHEMBL4832675 0.89 PIM1 (0.40) PIM1PIM3PIM2DYRK1BBTK
SCHEMBL4827241 0.87 DYRK1A (0.42) PIM1DYRK1BBTKDYRK1ABCAT1
SCHEMBL4827483 0.86 PIM1 (0.40) PIM1PIM3PIM2DYRK1BBTK
SCHEMBL4831494 0.85 PIM1 (0.39) PIM1PIM3PIM2DYRK1BBTK
SCHEMBL4824451 0.83 BCAT1 (0.41) PIM1PIM3PIM2BTKITK
SCHEMBL4827673 0.83 BCAT1 (0.42) PIM1PIM3PIM2BTKDYRK1A
SCHEMBL14382483 0.83 BTK (0.38) PIM1PIM3PIM2BTKITK
SCHEMBL4828114 0.82 PIM1 (0.36) PIM1PIM3PIM2BTKITK
SCHEMBL4829375 0.81 DYRK1A (0.42) BTKITKDYRK1ABCAT1PRKD3

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 PIM1 466/4885PIM3 484/4885PIM2 481/4885

“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.