Sugi Predict

Sugi Predict / Compounds / SCHEMBL4833212

SCHEMBL4833212

SCHEMBL4833212

N#CCc1ccc(Oc2nc(Nc3cc(C4CC4)[nH]n3)nc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.54
▸ GSK3B P49841 4/20 0.52
▸ NTRK1 P04629 3/20 0.52
▸ STK3 Q13188 2/20 0.52
▸ AKT1 P31749 1/20 0.52
▸ TGFBR1 P36897 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ STK4 Q13043 1/20 0.52
▸ BMPR2 Q13873 1/20 0.52
▸ STK26 Q9P289 1/20 0.52
▸ STK24 Q9Y6E0 1/20 0.52
▸ ULK1 O75385 4/20 0.49
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ SRC P12931 2/20 0.47
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ PDK1 Q15118 1/20 0.44
▸ ULK2 Q8IYT8 1/20 0.44
▸ DYRK3 O43781 1/20 0.43

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
SCHEMBL12431068 0.84 GSK3B (0.50) IGF1RGSK3BNTRK1STK3AKT1
SCHEMBL12430680 0.82 ULK1 (0.73) IGF1RGSK3BNTRK1STK3AKT1
SCHEMBL30770809 0.82 ULK1 (0.73) IGF1RGSK3BNTRK1STK3AKT1
SCHEMBL5068896 0.77 AKT1 (0.55) IGF1RGSK3BNTRK1STK3AKT1
SCHEMBL27239827 0.76 ULK1 (0.55) IGF1RGSK3BNTRK1ULK1NTRK3
SCHEMBL5479709 0.75 IGF1R (0.53) IGF1RGSK3BNTRK1STK3AKT1
SCHEMBL5068309 0.74 AKT1 (0.55) IGF1RGSK3BNTRK1STK3AKT1
SCHEMBL12431071 0.73 AKT1 (0.61) IGF1RGSK3BSTK3AKT1TGFBR1
SCHEMBL12430931 0.73 IGF1R (0.73) IGF1RGSK3BSTK3AKT1TGFBR1
SCHEMBL31471730 0.72 NTRK1 (0.79) IGF1RGSK3BNTRK1STK3ULK1

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-7427681-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-23 — — US claimed
EP-1345928-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-02-14 — — EP claimed
US-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2004-08-26 — — US claimed
JP-2004516292-A — — 2004-06-03 — — JP claimed
EP-1345928-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-09-24 — — EP claimed
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-01-30 — — US claimed
WO-2002050066-A2 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-06-27 — — 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-20040167141-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 1037/4885GSK3B 3/4885NTRK1 2227/4885
US-20030022885-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B IGF1R 1037/4885GSK3B 3/4885NTRK1 2227/4885
US-20130096128-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 IGF1R 781/4885GSK3B 4/4885NTRK1 2341/4885
US-20140187772-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 IGF1R 781/4885GSK3B 4/4885NTRK1 2341/4885
US-20080287444-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS AURKC, AURKA, CDK3 IGF1R 781/4885GSK3B 4/4885NTRK1 2341/4885

“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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