Sugi Predict

Sugi Predict / Compounds / SCHEMBL4048598

SCHEMBL4048598

SCHEMBL4048598

COc1ccc(Nc2nc(N)n(-c3cccc(C#N)c3)n2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 1.00
▸ AURKA O14965 2/20 0.59
▸ KIT P10721 2/20 0.59
▸ IRAK4 Q9NWZ3 2/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ IMPDH2 P12268 1/20 0.52
▸ PTK2 Q05397 1/20 0.47
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ AXL P30530 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL4038836 0.90 FLT3 (0.81) FLT3AURKAKITIRAK4JAK2
SCHEMBL2088943 0.88 FLT3 (1.00) FLT3AURKAKITIRAK4JAK2
SCHEMBL4042636 0.86 FLT3 (0.80) FLT3AURKAKITIRAK4JAK2
SCHEMBL4039263 0.84 FLT3 (1.00) FLT3AURKAKITIRAK4JAK2
SCHEMBL12845210 0.79 FLT3 (0.72) FLT3AURKAKITIRAK4JAK2
SCHEMBL4038992 0.79 FLT3 (0.80) FLT3AURKAKITIRAK4JAK2
SCHEMBL4038352 0.78 FLT3 (0.80) FLT3AURKAKITIRAK4JAK2
SCHEMBL2086558 0.78 FLT3 (0.80) FLT3AURKAKITIRAK4JAK2
SCHEMBL2087828 0.77 FLT3 (0.62) FLT3AURKAKITIRAK4JAK2
SCHEMBL4038854 0.76 FLT3 (0.72) FLT3AURKAKITIRAK4JAK2

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 9 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
WO-2009105082-A1 AFFINITY CONTROL OF TAGGING NOISE NORTHEASTERN UNIVERSITY (US) 2009-08-27 — — WO 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
CN-1738615-A Diaminotriazoles as inhibitors of protein kinases VERTEX PHARMA (US) 2006-02-22 — — CN 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 220/4885AURKA 181/4885KIT 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.