Sugi Predict

Sugi Predict / Compounds / SCHEMBL4036286

SCHEMBL4036286

SCHEMBL4036286

COc1cc(Nc2nc(N)n(-c3ccc(F)cc3F)n2)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.64
▸ AXL P30530 1/20 0.59
▸ AURKA O14965 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ KIT P10721 1/20 0.46
▸ IRAK4 Q9NWZ3 1/20 0.46
▸ PLK1 P53350 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ TUBB4A P04350 1/20 0.43
▸ TUBB P07437 1/20 0.43
▸ TUBA3C P0DPH7 1/20 0.43
▸ TUBA1B P68363 1/20 0.43
▸ TUBA4A P68366 1/20 0.43
▸ TUBB4B P68371 1/20 0.43
▸ TUBB3 Q13509 1/20 0.43
▸ TUBB2A Q13885 1/20 0.43
▸ TUBB8 Q3ZCM7 1/20 0.43
▸ TUBA3E Q6PEY2 1/20 0.43
▸ TUBA1A Q71U36 1/20 0.43
▸ TUBA1C Q9BQE3 1/20 0.43

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
SCHEMBL4038658 0.89 FLT3 (0.61) FLT3AXLAURKAJAK2KIT
SCHEMBL4039143 0.88 FLT3 (0.80) FLT3AXLAURKAJAK2KIT
SCHEMBL4044479 0.86 FLT3 (0.58) FLT3AXLAURKAJAK2KIT
SCHEMBL12780994 0.79 FLT3 (0.57) FLT3AXLAURKAJAK2KIT
SCHEMBL12780888 0.79 FLT3 (0.57) FLT3AXLAURKAJAK2KIT
SCHEMBL4036749 0.78 FLT3 (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL4047467 0.77 FLT3 (0.80) FLT3AXLAURKAJAK2KIT
SCHEMBL4044001 0.76 FLT3 (1.00) FLT3AXLAURKAJAK2KIT
SCHEMBL4046909 0.76 FLT3 (0.72) FLT3AXLAURKAJAK2KIT
SCHEMBL4040345 0.74 AXL (1.00) FLT3AXLAURKAJAK2KIT

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-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
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 220/4885AXL 762/4885AURKA 181/4885

“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.