SCHEMBL2858234

SCHEMBL2858234

Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1-c1ccnc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 10/20 0.53
▸ CA1 P00915 10/20 0.53
▸ CA2 P00918 10/20 0.53
▸ CA9 Q16790 10/20 0.53
▸ CA14 Q9ULX7 2/20 0.48
▸ JAK2 O60674 6/20 0.48
▸ CCNB2 O95067 2/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ CCNB1 P14635 2/20 0.47
▸ CCNB3 Q8WWL7 2/20 0.47
▸ IKBKB O14920 2/20 0.47
▸ ROCK1 Q13464 2/20 0.46
▸ AURKA O14965 2/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ STK25 O00506 1/20 0.46
▸ RIOK3 O14730 1/20 0.46
▸ GAK O14976 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ PDPK1 O15530 1/20 0.46

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
SCHEMBL14275831 0.83 FLT3 (0.49) JAK2AURKAKITAXLFLT3
SCHEMBL12781245 0.82 CA1 (0.48) CA12CA1CA2CA9CA14
SCHEMBL3394892 0.81 FLT3 (0.63) CA12CA1CA2CA9JAK2
SCHEMBL2859108 0.80 CA1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6226766 0.78 FLT3 (0.64) JAK2AURKAAURKBPLK4KIT
SCHEMBL12781099 0.77 AXL (0.56) CA12CA1CA2CA9CA14
SCHEMBL27691113 0.77 JAK2 (0.55) CA12CA1CA2CA9CA14
SCHEMBL3956556 0.77 AXL (0.63) JAK2AURKAPDPK1KITFGFR1
SCHEMBL12781097 0.76 CCNB2 (0.50) CA12CA1CA2CA9CA14
SCHEMBL4037722 0.76 FLT3 (0.68) JAK2CCNB2CDK1CCNB1CCNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
EP-1663211-B1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2010-01-20 — — EP disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-7598245-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2008-04-24 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
US-7226920-B2 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INC. (US) 2007-06-05 — — US disclosed
EP-1663211-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-06-07 — — EP disclosed
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-11-24 — — US disclosed
WO-2005013982-A1 AMINOTRIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 — — WO 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 (2 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-20080096901-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 CA12 4724/4885CA1 3656/4885CA2 1812/4885
US-20050261268-A1 Aminotriazole compounds useful as inhibitors of protein kinases MAP3K20, MAP3K5, MAP3K1 CA12 4724/4885CA1 3656/4885CA2 1812/4885

“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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