Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042158

SCHEMBL4042158

SCHEMBL4042158

COc1ccc(Nc2nc(N)n(-c3cc(N4CCC(CO)CC4)ncn3)n2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.40
▸ FLT3 P36888 5/20 0.40
▸ IRAK4 Q9NWZ3 5/20 0.40
▸ AURKA O14965 2/20 0.40
▸ DCK P27707 3/20 0.39
▸ AXL P30530 6/20 0.39
▸ GBA1 P04062 2/20 0.39
▸ INSR P06213 4/20 0.38
▸ KDR P35968 3/20 0.38
▸ BACE1 P56817 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL4036856 0.84 FLT3 (0.54) KITFLT3IRAK4AURKAAXL
SCHEMBL4043440 0.79 FLT3 (0.44) KITFLT3AXLKDRBACE1
SCHEMBL4046922 0.78 KIT (0.45) KITFLT3IRAK4AURKAAXL
SCHEMBL4040010 0.76 FLT3 (0.54) KITFLT3IRAK4AURKAAXL
SCHEMBL4042579 0.76 FLT3 (0.48) KITFLT3IRAK4AURKAAXL
SCHEMBL4042194 0.76 FLT3 (0.46) KITFLT3IRAK4AURKAAXL
SCHEMBL4038596 0.76 FLT3 (0.51) KITFLT3IRAK4AURKAAXL
SCHEMBL4038556 0.75 FLT3 (0.48) KITFLT3IRAK4AURKAAXL
SCHEMBL4039339 0.75 FLT3 (0.48) KITFLT3IRAK4AURKAAXL
SCHEMBL4039584 0.75 FLT3 (0.48) KITFLT3IRAK4AURKAAXL

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 KIT 1144/4885FLT3 220/4885IRAK4 566/4885

“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.