Sugi Predict

Sugi Predict / Compounds / SCHEMBL4042573

SCHEMBL4042573

SCHEMBL4042573

Nc1nc(Nc2ccc(N3CCNCC3)cc2)nn1-c1ccncn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 10/20 0.59
▸ KIT P10721 8/20 0.59
▸ AXL P30530 5/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ CDK4 P11802 2/20 0.44
▸ CDK6 Q00534 2/20 0.44
▸ IRAK4 Q9NWZ3 2/20 0.44
▸ JAK2 O60674 2/20 0.43
▸ KDR P35968 3/20 0.43
▸ INSR P06213 1/20 0.43
▸ ABL1 P00519 2/20 0.43
▸ MET P08581 2/20 0.43
▸ PDGFRB P09619 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ DAPK3 O43293 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ FYN P06241 1/20 0.43

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
SCHEMBL4046201 0.88 FLT3 (0.75) FLT3KITAXLPLK4CDK4
SCHEMBL2087595 0.86 FLT3 (0.78) FLT3KITAXLIRAK4JAK2
SCHEMBL2087422 0.82 FLT3 (0.64) FLT3KITAXLIRAK4JAK2
SCHEMBL12779065 0.79 FLT3 (0.55) FLT3KITAXLIRAK4JAK2
SCHEMBL30121764 0.79 AXL (0.69) FLT3KITAXLCDK4CDK6
SCHEMBL2087268 0.77 POLB (0.50) FLT3KITAXLIRAK4JAK2
SCHEMBL4045933 0.76 FLT3 (0.70) FLT3KITAXLPLK4IRAK4
SCHEMBL3392661 0.75 FLT3 (0.45) FLT3KITAXLCDK4CDK6
SCHEMBL14275611 0.75 SYK (0.47) FLT3KITAXLCDK4KDR
SCHEMBL12780676 0.75 FLT3 (0.59) FLT3KITAXLIRAK4JAK2

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 FLT3 220/4885KIT 1144/4885AXL 762/4885

“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.