Sugi Predict

Sugi Predict / Compounds / SCHEMBL969554

SCHEMBL969554

SCHEMBL969554

FC(F)(F)c1cc(Cl)nc(-c2ccccc2Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.54
▸ HSP90AB1 P08238 1/20 0.54
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ HSD11B1 P28845 2/20 0.45
▸ PDE2A O00408 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ MAT2A P31153 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ CBFB Q13951 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ RORB Q92753 1/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.39

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
SCHEMBL29473449 0.91 HSP90AA1 (0.50) HSP90AA1HSP90AB1GSK3AGSK3BHSD11B1
SCHEMBL12303170 0.77 HSP90AA1 (0.59) HSP90AA1HSP90AB1GSK3AGSK3BHSD11B1
SCHEMBL30198849 0.77 HSP90AA1 (0.62) HSP90AA1HSP90AB1SMN1; SMN2MAPTNFKB1
SCHEMBL19259421 0.77 HSP90AA1 (0.62) HSP90AA1HSP90AB1SMN1; SMN2MAPTNFKB1
SCHEMBL972297 0.77 HSD11B1 (0.45) HSP90AA1HSP90AB1GSK3AGSK3BHSD11B1
SCHEMBL786418 0.76 HSP90AA1 (0.54) HSP90AA1HSP90AB1HSD11B1HPGD
SCHEMBL2848055 0.74 RAD51 (0.48) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL561772 0.73 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL3327517 0.73 HSP90AA1 (0.68) HSP90AA1HSP90AB1GSK3BNPC1RAB9A
SCHEMBL3562751 0.72 KDM4E (0.53) NPC1RAB9ASMN1; SMN2MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364450-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-12-11 — — US disclosed
US-20140364450-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2014-12-11 — — US disclosed
US-8735593-B2 Aminopyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-27 — — US disclosed
US-8735593-B2 Aminopyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-05-27 — — US disclosed
US-20130245273-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-19 — — US disclosed
US-20130245273-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-19 — — US disclosed
US-8410133-B2 Aminopyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410133-B2 Aminopyridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-15 — — US disclosed
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-15 — — US disclosed
US-20110021559-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-20110021559-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
EP-2262498-A2 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmceuticals Incorporated (US) 2010-12-22 — — EP disclosed
WO-2009145814-A9 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — WO disclosed
CN-101657447-A Aminopyridines useful as inhibitors of protein kinases VERTEX PHARMA US 2010-02-24 — — CN disclosed
EP-2134709-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals, Inc. (US) 2009-12-23 — — EP disclosed
WO-2009145814-A2 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 — — WO disclosed
WO-2008112646-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-18 — — 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 (4 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-20130245273-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP4K5, MAP3K5, MAP3K20 HSP90AA1 1698/4885HSP90AB1 1688/4885GSK3A 318/4885
US-20110021559-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP4K5, MAP3K5, MAP3K20 HSP90AA1 1698/4885HSP90AB1 1688/4885GSK3A 318/4885
US-20110224197-A1 PYRIMIDINES AND PYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES GSK3B, CDK3, GSK3A HSP90AA1 2412/4885HSP90AB1 1537/4885GSK3A 3/4885
US-20140364450-A1 AMINOPYRIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP4K5, MAP3K5, MAP3K20 HSP90AA1 1698/4885HSP90AB1 1688/4885GSK3A 318/4885

“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.