SCHEMBL3394892

SCHEMBL3394892

CC(=O)Nc1ccc(Nc2nc(N)n(-c3ccnc(Cl)c3)n2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 7/20 0.63
▸ KIT P10721 3/20 0.63
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ AXL P30530 1/20 0.45
▸ AURKA O14965 2/20 0.44
▸ JAK2 O60674 5/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL14301358 0.88 FLT3 (0.64) FLT3KITLMNAPOLBAXL
SCHEMBL14275831 0.83 FLT3 (0.49) FLT3KITLMNAAXLAURKA
SCHEMBL3956556 0.82 AXL (0.63) FLT3KITLMNAAXLAURKA
SCHEMBL2858234 0.81 CA12 (0.53) FLT3KITAXLAURKAJAK2
SCHEMBL3387357 0.79 FLT3 (0.56) FLT3KITLMNAAXLAURKA
SCHEMBL13007023 0.79 FLT3 (0.56) FLT3KITLMNAAXLAURKA
SCHEMBL13006573 0.77 AXL (0.51) FLT3KITLMNAPOLBAXL
SCHEMBL6226766 0.77 FLT3 (0.64) FLT3KITAXLAURKAJAK2
SCHEMBL4038950 0.77 FLT3 (1.00) FLT3KITLMNAAXLAURKA
SCHEMBL14275815 0.74 BACE1 (0.49) FLT3KITAXLAURKAJAK2

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
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
US-7329652-B2 Diaminotriazole compounds useful as protein kinase inhibitors VERTEX PHARAMACEUTICALS INCORPORATED (US) 2008-02-12 — — US 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 851/4885LMNA 3840/4885

“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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