Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042645

SCHEMBL4042645

SCHEMBL4042645

COc1cc(N2CCOCC2)ccc1Nc1nc(N)n(-c2ccc(C(N)=O)cn2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 6/20 0.73
▸ IRAK4 Q9NWZ3 4/20 0.73
▸ KIT P10721 4/20 0.73
▸ AURKA O14965 2/20 0.73
▸ MAPK10 P53779 3/20 0.54
▸ MAPK8 P45983 2/20 0.54
▸ MAPK9 P45984 2/20 0.54
▸ INSR P06213 5/20 0.52
▸ ALK Q9UM73 4/20 0.52
▸ PTK2 Q05397 2/20 0.52
▸ LRRK2 Q5S007 2/20 0.51
▸ JAK2 O60674 2/20 0.51
▸ IGF1R P08069 2/20 0.48
▸ CAMK2D Q13557 2/20 0.48
▸ EGFR P00533 2/20 0.48
▸ CDC7 O00311 1/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ DCLK1 O15075 1/20 0.48
▸ PDPK1 O15530 1/20 0.48

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
SCHEMBL12780341 0.92 KIT (0.71) FLT3IRAK4KITAURKAINSR
SCHEMBL12780347 0.91 FLT3 (0.70) FLT3IRAK4KITAURKAMAPK10
SCHEMBL12780334 0.90 KIT (0.68) FLT3IRAK4KITAURKAMAPK10
SCHEMBL12780326 0.89 KIT (0.67) FLT3IRAK4KITAURKAMAPK10
SCHEMBL12780342 0.87 FLT3 (0.64) FLT3IRAK4KITAURKAMAPK10
SCHEMBL4048022 0.84 FLT3 (1.00) FLT3IRAK4KITAURKAMAPK10
SCHEMBL4037659 0.84 FLT3 (0.66) FLT3IRAK4KITAURKAMAPK10
SCHEMBL4037633 0.83 FLT3 (0.60) FLT3IRAK4KITAURKAINSR
SCHEMBL4040811 0.83 FLT3 (0.86) FLT3IRAK4KITAURKAINSR
SCHEMBL4042660 0.82 FLT3 (0.59) FLT3IRAK4KITAURKAMAPK10

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 — — US disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — EP disclosed
EP-1562589-B1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-01-07 — — EP disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 — — US 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-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885IRAK4 566/4885KIT 1144/4885

“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.