SCHEMBL5517973

SCHEMBL5517973

COc1ccc(Cn2nc(C=O)c3cc(B4OC(C)(C)C(C)(C)O4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.45
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
SNCA P37840 1/20 0.37
PTGER4 P35408 2/20 0.36
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
HIF1A Q16665 1/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PDE1A P54750 2/20 0.33
PDE1B Q01064 2/20 0.33
PDE1C Q14123 2/20 0.33
ACHE P22303 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPBWR1 P48145 1/20 0.33

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
SCHEMBL5516260 0.79 CNR1 (0.46) CNR2CNR1PTGER4PDE1APDE1B
SCHEMBL30143668 0.77 PRMT5 (0.33) SNCAPRMT5WDR77LPLLIPG
SCHEMBL24996627 0.76 UCHL1 (0.53) UCHL1SNCALPLLIPGPDE1A
SCHEMBL31357429 0.76 UCHL1 (0.53) UCHL1SNCALPLLIPGPDE1A
SCHEMBL25429869 0.76 UCHL1 (0.46) UCHL1SNCALPLLIPGMAPT
SCHEMBL14493360 0.76 PRMT5 (0.36) PRMT5WDR77LPLLIPGCA1
SCHEMBL12327729 0.76 CNR2 (0.62) CNR2CNR1PTGER4ACHEMAPT
SCHEMBL5513061 0.76 SMN1; SMN2 (0.41) UCHL1CNR2CNR1SNCACA9
SCHEMBL24997048 0.74 UCHL1 (0.53) UCHL1SNCALPLLIPGPDE1A
SCHEMBL16533849 0.73 ENPP2 (0.47) CNR2CNR1PDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-7232912-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2007-06-19 US disclosed
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-05-25 US disclosed
US-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-6919461-B2 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2005-07-19 US disclosed
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 US disclosed
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation REICH SIEGFRIED HEINZ (US) 2003-07-24 US disclosed
US-6555539-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS 2003-04-29 US disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 US disclosed
EP-1250326-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2002-10-23 EP disclosed
WO-2001053268-A2 INDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THEIR USE FOR MEDIATING OR INHIBITING CELL PROLIFERATION AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (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-20050239855-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 UCHL1 2581/4885CNR2 808/4885CNR1 1069/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 UCHL1 2581/4885CNR2 808/4885CNR1 1069/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 UCHL1 2581/4885CNR2 808/4885CNR1 1069/4885
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 UCHL1 3359/4885CNR2 751/4885CNR1 843/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 UCHL1 2367/4885CNR2 847/4885CNR1 823/4885

“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.