SCHEMBL5515596

SCHEMBL5515596

Cc1cc(O)ccc1-c1ccc2[nH]nc(-c3ccccc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.58
MAPK1 P28482 4/20 0.58
MAPK6 Q16659 4/20 0.58
MAPKAPK3 Q16644 3/20 0.58
MAPKAPK2 P49137 3/20 0.58
MAPKAPK5 Q8IW41 1/20 0.58
CDK2 P24941 3/20 0.57
CDK4 P11802 2/20 0.57
CCNA2 P20248 2/20 0.57
CCND1 P24385 2/20 0.57
CCND3 P30281 2/20 0.57
CHEK1 O14757 1/20 0.57
KDR P35968 1/20 0.57
ESR2 Q92731 2/20 0.56
MKNK1 Q9BUB5 1/20 0.55
FGFR1 P11362 2/20 0.50
DCLK1 O15075 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
CHEK2 O96017 1/20 0.50

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
SCHEMBL5509470 0.85 MKNK1 (0.61) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL5378056 0.83 DCLK1 (0.65) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL17306449 0.76 MKNK1 (0.87) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL1513479 0.74 ESR2 (1.00) ESR2FGFR1HSP90AB1ESR1ALDH1A1
SCHEMBL22801614 0.74 MAP2K4 (1.00) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL1513050 0.74 PDPK1 (0.80) MAP2K4MAPK1MAPK6MAPKAPK3CDK2
SCHEMBL4093740 0.74 MAP2K4 (0.71) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL5468354 0.73 MKNK1 (0.51) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2
SCHEMBL27565878 0.73 MKNK1 (0.57) MAP2K4CDK2CDK4CCNA2CCND1
SCHEMBL13810936 0.71 JAK2 (0.52) MAP2K4MAPK1MAPK6MAPKAPK3MAPKAPK2

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 MAP2K4 231/4885MAPK1 104/4885MAPK6 433/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAP2K4 231/4885MAPK1 104/4885MAPK6 433/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAP2K4 231/4885MAPK1 104/4885MAPK6 433/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 MAP2K4 1303/4885MAPK1 570/4885MAPK6 1297/4885

“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.