Sugi Predict

Sugi Predict / Compounds / SCHEMBL4036767

SCHEMBL4036767

SCHEMBL4036767

NC(=O)C1CCCN(c2cc(-n3nc(Nc4ccccc4)nc3N)ncn2)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ FLT3 P36888 8/20 0.47
▸ ALK Q9UM73 2/20 0.46
▸ LRRK2 Q5S007 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ JAK1 P23458 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ KIT P10721 6/20 0.43
▸ IGF1R P08069 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ AXL P30530 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ PBK Q96KB5 1/20 0.40
▸ IDH2 P48735 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
SCHEMBL4043364 0.89 LOXL2 (0.47) JAK2JAK3FLT3LOXL2KIT
SCHEMBL12780769 0.86 FLT3 (0.42) JAK2JAK3FLT3ALKLRRK2
SCHEMBL14369932 0.84 FLT3 (0.42) JAK2JAK3FLT3ALKLRRK2
SCHEMBL4043440 0.78 FLT3 (0.44) JAK3FLT3LRRK2LOXL2KIT
SCHEMBL2087268 0.77 POLB (0.50) JAK2FLT3KITAXL
SCHEMBL12780761 0.75 GAA (0.53) JAK2JAK3ALKLMNAAXL
SCHEMBL2087446 0.74 JAK2 (0.47) JAK2JAK3FLT3JAK1SYK
SCHEMBL12780253 0.73 FLT3 (0.49) JAK2JAK3FLT3JAK1KIT
SCHEMBL12780698 0.73 FLT3 (0.54) JAK2JAK3FLT3LRRK2SYK
SCHEMBL4040941 0.73 FLT3 (0.54) JAK2JAK3FLT3LRRK2SYK

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 JAK2 112/4885JAK3 134/4885FLT3 220/4885

“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.