Sugi Predict

Sugi Predict / Compounds / SCHEMBL4038503

SCHEMBL4038503

SCHEMBL4038503

CN1CCN(c2cc(-n3nc(Nc4ccc(N5CCOCC5)cc4)nc3N)ccn2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.67
▸ FLT3 P36888 10/20 0.66
▸ KIT P10721 6/20 0.64
▸ AXL P30530 4/20 0.58
▸ KDR P35968 2/20 0.52
▸ INSR P06213 1/20 0.52
▸ JAK2 O60674 3/20 0.51
▸ IRAK4 Q9NWZ3 2/20 0.51
▸ AURKA O14965 1/20 0.49
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAPK8 P45983 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.46
▸ ABL1 P00519 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ MET P08581 1/20 0.45
▸ PDGFRB P09619 1/20 0.45

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
SCHEMBL14275568 0.90 BACE1 (0.69) BACE1FLT3KITAXLKDR
SCHEMBL14275575 0.90 BACE1 (0.75) BACE1FLT3KITAXLKDR
SCHEMBL4046489 0.87 FLT3 (0.64) BACE1FLT3KITAXLKDR
SCHEMBL14275574 0.86 FLT3 (0.63) BACE1FLT3KITAXLKDR
SCHEMBL14275550 0.85 BACE1 (0.59) BACE1FLT3KITAXLJAK2
SCHEMBL4039068 0.85 BACE1 (0.57) BACE1FLT3KITAXLKDR
SCHEMBL13963887 0.85 FLT3 (0.67) BACE1FLT3KITAXLKDR
SCHEMBL2087600 0.85 FLT3 (0.66) BACE1FLT3KITAXLKDR
SCHEMBL4036234 0.84 FLT3 (0.60) BACE1FLT3KITAXLKDR
SCHEMBL6226766 0.83 FLT3 (0.64) BACE1FLT3KITAXLJAK2

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 BACE1 3044/4885FLT3 220/4885KIT 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.