Sugi Predict

Sugi Predict / Compounds / SCHEMBL801702

SCHEMBL801702

SCHEMBL801702

Cc1cc(Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)n[nH]1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.65
▸ GSK3A P49840 3/20 0.65
▸ ITK Q08881 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ AURKA O14965 8/20 0.54
▸ AURKB Q96GD4 6/20 0.54
▸ SRC P12931 3/20 0.54
▸ EIF2AK2 P19525 1/20 0.54
▸ IGF1R P08069 4/20 0.54
▸ PAK4 O96013 2/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ CSF1R P07333 1/20 0.54
▸ RET P07949 1/20 0.54
▸ PDGFRB P09619 1/20 0.54
▸ FGFR1 P11362 1/20 0.54
▸ FLT1 P17948 1/20 0.54

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
SCHEMBL802732 0.91 GSK3B (0.56) GSK3BGSK3AITKL3MBTL1AURKA
SCHEMBL801757 0.89 GSK3B (0.54) GSK3BGSK3AITKL3MBTL1AURKA
SCHEMBL14163991 0.89 GSK3B (0.54) GSK3BGSK3AITKL3MBTL1AURKA
SCHEMBL12430924 0.86 AURKA (0.59) GSK3BGSK3AITKL3MBTL1AURKA
SCHEMBL805605 0.86 GSK3B (0.54) GSK3BGSK3AITKL3MBTL1AURKA
SCHEMBL802122 0.82 AURKA (0.49) GSK3BGSK3AITKL3MBTL1AURKA
SCHEMBL802341 0.81 GSK3B (0.46) GSK3BGSK3AITKAURKAAURKB
SCHEMBL13963122 0.81 GSK3B (0.46) GSK3BGSK3AITKL3MBTL1AURKA
SCHEMBL801666 0.79 AURKA (0.67) GSK3BGSK3AITKAURKAAURKB
SCHEMBL802669 0.79 GSK3B (1.00) GSK3BGSK3AITKAURKAAURKB

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-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-22 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-7951820-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-05-31 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-07 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7473691-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-01-06 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — 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 (3 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-20100256170-A1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, CDK3, GSK3A GSK3B 1/4885GSK3A 3/4885ITK 1149/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885GSK3A 2/4885ITK 1124/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GSK3B 1/4885GSK3A 3/4885ITK 1149/4885

“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.