Sugi Predict

Sugi Predict / Compounds / SCHEMBL4040469

SCHEMBL4040469

SCHEMBL4040469

COc1cc(Nc2nc(N)n(-c3ccc(C#N)cc3)n2)cc(OC)c1OC(C)C

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 12/20 0.73
▸ AXL P30530 2/20 0.49
▸ KIT P10721 3/20 0.47
▸ IRAK4 Q9NWZ3 3/20 0.47
▸ AURKA O14965 2/20 0.47
▸ IMPDH2 P12268 1/20 0.44
▸ JAK2 O60674 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTK2 Q05397 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL4038352 0.91 FLT3 (0.80) FLT3AXLKITIRAK4AURKA
SCHEMBL2086558 0.86 FLT3 (0.80) FLT3AXLKITIRAK4AURKA
SCHEMBL4044051 0.85 FLT3 (0.62) FLT3AXLKITIRAK4AURKA
SCHEMBL2088943 0.84 FLT3 (1.00) FLT3AXLKITIRAK4AURKA
SCHEMBL4042662 0.82 FLT3 (0.72) FLT3AXLKITIRAK4AURKA
SCHEMBL2086457 0.82 FLT3 (0.69) FLT3AXLKITIRAK4AURKA
SCHEMBL4041983 0.82 FLT3 (0.69) FLT3AXLKITIRAK4AURKA
SCHEMBL27645836 0.81 FLT3 (0.55) FLT3AXLKITIRAK4AURKA
SCHEMBL27646008 0.81 FLT3 (0.55) FLT3AXLKITIRAK4AURKA
SCHEMBL4042878 0.81 FLT3 (0.65) FLT3AXLKITIRAK4AURKA

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
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 220/4885AXL 762/4885KIT 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.