Sugi Predict

Sugi Predict / Compounds / SCHEMBL802840

SCHEMBL802840

SCHEMBL802840

Cc1cc(Nc2cc(-c3ccccc3Cl)nc3c2CCCC3)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.44
▸ GSK3A P49840 3/20 0.44
▸ IGF1R P08069 4/20 0.43
▸ AURKA O14965 5/20 0.41
▸ PDE4B Q07343 5/20 0.39
▸ AURKB Q96GD4 3/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ KDR P35968 1/20 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
SCHEMBL10266241 0.87 GSK3B (0.44) GSK3BGSK3AIGF1RAURKAPDE4B
SCHEMBL13055254 0.79 IGF1R (0.41) GSK3BGSK3AIGF1RAURKAPDE4B
SCHEMBL802268 0.78 FADS1 (0.42) GSK3BGSK3APDE4BMAPK8
SCHEMBL801631 0.78 GSK3B (0.72) GSK3BGSK3AAURKAAURKBNTRK1
SCHEMBL802334 0.74 FADS1 (0.45) GSK3BGSK3AJAK2LCKJAK3
SCHEMBL12430780 0.73 IGF1R (0.52) GSK3BIGF1RAURKAAURKBPAK4
SCHEMBL802343 0.72 AURKA (0.55) GSK3BGSK3AAURKAAURKBPAK4
SCHEMBL801757 0.72 GSK3B (0.54) GSK3BGSK3AIGF1RAURKAAURKB
SCHEMBL27716131 0.72 AURKA (0.57) GSK3BGSK3AIGF1RAURKAAURKB
SCHEMBL802278 0.72 CCNA2 (0.40) PDE4BCDK5CLK4

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-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-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 3/4885IGF1R 540/4885
US-20120071657-A1 TRIAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS GSK3B, GSK3A, CDK19 GSK3B 1/4885GSK3A 2/4885IGF1R 293/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A GSK3B 1/4885GSK3A 3/4885IGF1R 540/4885

“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.