SCHEMBL5510605

SCHEMBL5510605

Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4c(O)cccc4[nH]3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 6/20 0.52
▸ DYRK1A Q13627 9/20 0.52
▸ GSK3B P49841 7/20 0.52
▸ CDK4 P11802 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCND1 P24385 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ CLK2 P49760 3/20 0.49
▸ CLK3 P49761 3/20 0.49
▸ MAP3K8 P41279 4/20 0.48
▸ TGFBR1 P36897 4/20 0.48

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
SCHEMBL5513099 0.91 MAP3K8 (0.49) WNT1DYRK1AGSK3BCDK4CCNA2
SCHEMBL5523694 0.90 CDK2 (0.52) WNT1DYRK1AGSK3BCDK4CCNA2
SCHEMBL5518740 0.88 CDK4 (0.64) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5523267 0.77 CDK4 (0.69) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5516248 0.76 MAP3K8 (0.69) WNT1CDK4CCNA2CCND1CDK2
SCHEMBL15862134 0.76 WNT1 (0.72) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL5515337 0.75 CDK4 (0.85) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL15868985 0.75 WNT1 (0.76) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL15868960 0.75 DYRK1A (0.80) WNT1DYRK1AGSK3BCLK2CLK3
SCHEMBL5508107 0.74 CDK4 (0.60) CDK4CCNA2CCND1CDK2CCND3

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 9 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
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 WNT1 774/4885DYRK1A 806/4885GSK3B 16/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 WNT1 774/4885DYRK1A 806/4885GSK3B 16/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 WNT1 774/4885DYRK1A 806/4885GSK3B 16/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 WNT1 399/4885DYRK1A 2097/4885GSK3B 49/4885

“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.

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