Sugi Predict

Sugi Predict / Compounds / SCHEMBL5068309

SCHEMBL5068309

SCHEMBL5068309

N#CCc1ccc(Oc2cnnc(Nc3cc(C4CC4)[nH]n3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.55
▸ TGFBR1 P36897 1/20 0.55
▸ GSK3A P49840 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ STK4 Q13043 1/20 0.55
▸ STK3 Q13188 1/20 0.55
▸ BMPR2 Q13873 1/20 0.55
▸ STK26 Q9P289 1/20 0.55
▸ STK24 Q9Y6E0 1/20 0.55
▸ IGF1R P08069 10/20 0.54
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ CDK2 P24941 2/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCNA1 P78396 1/20 0.39
▸ CDK9 P50750 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ NTRK1 P04629 2/20 0.38

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
SCHEMBL5068896 0.83 AKT1 (0.55) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL12431071 0.77 AKT1 (0.61) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL12431068 0.74 GSK3B (0.50) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL4833212 0.74 IGF1R (0.54) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL5479709 0.72 IGF1R (0.53) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL1164479 0.71 AKT1 (0.73) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL17321347 0.71 IGF1R (0.60) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL1164728 0.71 AKT1 (1.00) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL21067407 0.70 IGF1R (0.82) AKT1TGFBR1GSK3AGSK3BSTK4
SCHEMBL15956798 0.70 IGF1R (0.79) AKT1TGFBR1GSK3AGSK3BSTK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US claimed
EP-1345929-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2006-05-17 — — EP claimed
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors BEBBINGTON DAVID (GB) 2004-08-12 — — US claimed
JP-2004517927-A — — 2004-06-17 — — JP claimed
EP-1345929-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 — — EP claimed
US-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-02 — — US claimed
WO-2002059112-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-01 — — WO claimed
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 — — US disclosed
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-07-03 — — US disclosed
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-04-18 — — US disclosed
US-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 — — US disclosed
US-8304414-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-06 — — US disclosed
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US disclosed
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 — — US disclosed
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — US disclosed
US-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — 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 (5 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-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 AKT1 170/4885TGFBR1 1946/4885GSK3A 8/4885
US-20030004164-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AKT1 123/4885TGFBR1 2301/4885GSK3A 4/4885
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 AKT1 170/4885TGFBR1 1946/4885GSK3A 8/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 AKT1 170/4885TGFBR1 1946/4885GSK3A 8/4885
US-20040157893-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B AKT1 157/4885TGFBR1 2250/4885GSK3A 4/4885

“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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