Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042371

SCHEMBL4042371

SCHEMBL4042371

Nc1nc(Nc2ccc3c(c2)OCO3)nn1-c1ccc(C(F)(F)F)cn1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 8/20 0.54
▸ LMNA P02545 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FLT3 P36888 2/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ OGA O60502 1/20 0.45
▸ BACE1 P56817 1/20 0.43
▸ CLK1 P49759 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ DYRK1A Q13627 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ DYRK1B Q9Y463 2/20 0.43
▸ AURKA O14965 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40

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
SCHEMBL4042334 0.85 ULK1 (0.47) ULK1LMNASMN1; SMN2FLT3ALDH1A1
SCHEMBL4047476 0.84 AXL (0.48) ULK1FLT3BACE1AURKAJAK2
SCHEMBL4046024 0.82 FLT3 (0.56) ULK1LMNAFLT3BACE1CLK1
SCHEMBL4044007 0.80 FLT3 (0.62) LMNASMN1; SMN2FLT3AURKAJAK2
SCHEMBL2089408 0.79 IDO1 (0.50) ULK1LMNAFLT3ALDH1A1CLK1
SCHEMBL4041073 0.78 FLT3 (0.67) SMN1; SMN2FLT3BACE1AURKAJAK2
SCHEMBL12845571 0.76 LMNA (0.45) ULK1LMNASMN1; SMN2FLT3ALDH1A1
SCHEMBL6224723 0.76 ULK1 (0.44) ULK1LMNAFLT3ALDH1A1OGA
SCHEMBL4042908 0.75 MAPT (0.47) ULK1LMNAFLT3ALDH1A1OGA
SCHEMBL4043587 0.74 FLT3 (0.64) FLT3AURKAJAK2KITIRAK4

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 ULK1 257/4885LMNA 3537/4885SMN1; SMN2 3129/4885

“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.