SCHEMBL3387357

SCHEMBL3387357

CC(=O)Nc1ccc(Nc2nc(N)n(-c3ccnc(N4CC(C)N(C(C)=O)C(C)C4)c3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.56
▸ KIT P10721 6/20 0.56
▸ AXL P30530 2/20 0.46
▸ BACE1 P56817 1/20 0.45
▸ LMNA P02545 1/20 0.41
▸ JAK2 O60674 5/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ AURKA O14965 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL13007023 1.00 FLT3 (0.56) FLT3KITAXLBACE1LMNA
SCHEMBL13006580 0.94 FLT3 (0.47) FLT3KITAXLBACE1JAK2
SCHEMBL14275718 0.91 AXL (0.46) FLT3KITAXLBACE1JAK2
SCHEMBL14275722 0.91 FLT3 (0.46) FLT3KITAXLBACE1JAK2
SCHEMBL13006581 0.91 FLT3 (0.46) FLT3KITAXLBACE1JAK2
SCHEMBL13006582 0.90 FLT3 (0.45) FLT3KITAXLBACE1LMNA
SCHEMBL13006845 0.90 FLT3 (0.45) FLT3KITAXLBACE1JAK2
SCHEMBL14275709 0.90 AXL (0.52) FLT3KITAXLBACE1JAK2
SCHEMBL14275725 0.90 FLT3 (0.45) FLT3KITAXLBACE1JAK2
SCHEMBL14275726 0.90 FLT3 (0.45) FLT3KITAXLBACE1WNT3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791830-B1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2010-12-29 — — EP disclosed
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 — — US disclosed
EP-1791830-A1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2007-06-06 — — EP disclosed
WO-2006034116-A1 DIAMINOTRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-30 — — WO disclosed
US-20060063756-A1 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2006-03-23 — — 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-20060063756-A1 Diaminotriazole compounds useful as protein kinase inhibitors JAK2, JAK3, JAK1 FLT3 43/4885KIT 851/4885AXL 649/4885

“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.

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