Sugi Predict

Sugi Predict / Compounds / SCHEMBL4038342

SCHEMBL4038342

SCHEMBL4038342

COc1ccccc1Nc1nc(N)n(-c2cc(N3CCC(N(C)C)C3)ncn2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 5/20 0.59
▸ FLT3 P36888 5/20 0.59
▸ IRAK4 Q9NWZ3 5/20 0.59
▸ AURKA O14965 4/20 0.59
▸ INSR P06213 3/20 0.55
▸ AXL P30530 2/20 0.55
▸ KDR P35968 1/20 0.55
▸ ALK Q9UM73 4/20 0.45
▸ IGF1R P08069 2/20 0.45
▸ JAK2 O60674 2/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ ZAP70 P43403 1/20 0.42
▸ EGFR P00533 3/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ ROS1 P08922 1/20 0.41
▸ EML4 Q9HC35 1/20 0.41

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
SCHEMBL4037088 0.83 FLT3 (0.57) KITFLT3IRAK4AURKAINSR
SCHEMBL4037845 0.83 FLT3 (0.61) KITFLT3IRAK4AURKAINSR
SCHEMBL4036886 0.82 FLT3 (0.67) KITFLT3IRAK4AURKAINSR
SCHEMBL4042526 0.78 AXL (0.59) KITFLT3IRAK4AURKAINSR
SCHEMBL4040322 0.77 FLT3 (0.67) KITFLT3IRAK4AURKAAXL
SCHEMBL14369678 0.77 FLT3 (0.84) KITFLT3IRAK4AURKAAXL
SCHEMBL12779908 0.76 FLT3 (0.64) KITFLT3IRAK4AURKAAXL
SCHEMBL4041296 0.75 FLT3 (0.73) KITFLT3IRAK4AURKAAXL
SCHEMBL12779832 0.75 FLT3 (0.70) KITFLT3IRAK4AURKAAXL
SCHEMBL12779962 0.75 FLT3 (0.62) 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.