SCHEMBL5508162

SCHEMBL5508162

c1ccc(-c2n[nH]c3ccc(-c4ccncc4)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 1.00
JAK2 O60674 2/20 0.66
CDK2 P24941 2/20 0.61
CLK2 P49760 2/20 0.61
DYRK1A Q13627 2/20 0.61
DCLK1 O15075 1/20 0.61
PRKD3 O94806 1/20 0.61
MAP4K4 O95819 1/20 0.61
CHEK2 O96017 1/20 0.61
CSF1R P07333 1/20 0.61
FER P16591 1/20 0.61
MARK3 P27448 1/20 0.61
FLT4 P35916 1/20 0.61
FLT3 P36888 1/20 0.61
MAPK9 P45984 1/20 0.61
CSNK1D P48730 1/20 0.61
CSNK2A1 P68400 1/20 0.61
CSNK1G2 P78368 1/20 0.61
MAP4K2 Q12851 1/20 0.61
STK3 Q13188 1/20 0.61

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
SCHEMBL17306449 0.93 MKNK1 (0.87) MKNK1JAK2CDK2CLK2DYRK1A
SCHEMBL17306477 0.86 MKNK1 (0.76) MKNK1JAK2CDK2CLK2DYRK1A
SCHEMBL8437976 0.85 MKNK1 (0.74) MKNK1JAK2CDK2CLK2DYRK1A
SCHEMBL5514698 0.84 MKNK1 (0.72) MKNK1JAK2CDK2CLK2DYRK1A
SCHEMBL27968550 0.83 MKNK1 (0.71) MKNK1JAK2CDK2CLK2DYRK1A
SCHEMBL10533662 0.80 IDO1 (0.74) MKNK1CDK2CLK2DYRK1ADCLK1
SCHEMBL5510153 0.80 MKNK1 (0.67) MKNK1JAK2CLK2DYRK1AAXL
SCHEMBL18487449 0.80 ITK (0.68) MKNK1JAK2CDK2CLK2DYRK1A
SCHEMBL21338474 0.80 MKNK1 (0.66) MKNK1JAK2CLK2DYRK1APIM1
SCHEMBL31690865 0.79 JAK2 (1.00) MKNK1JAK2CDK2CLK2DYRK1A

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 10 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-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-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
CN-1394205-A Indazole compounds, pharmaceutical compositions, and their use for mediating or inhibiting cell proliferation AGOURON PHARMA (US) 2003-01-29 CN disclosed
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS 2002-10-31 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 (4 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 MKNK1 107/4885JAK2 359/4885CDK2 11/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MKNK1 107/4885JAK2 359/4885CDK2 11/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MKNK1 107/4885JAK2 359/4885CDK2 11/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 MKNK1 241/4885JAK2 443/4885CDK2 13/4885

“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.