SCHEMBL5513099

SCHEMBL5513099

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K8 P41279 7/20 0.49
▸ DYRK1A Q13627 7/20 0.48
▸ GSK3B P49841 5/20 0.48
▸ WNT1 P04628 4/20 0.48
▸ CCNA2 P20248 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CDK4 P11802 2/20 0.47
▸ CCND1 P24385 2/20 0.47
▸ CCND3 P30281 2/20 0.47
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ TGFBR1 P36897 3/20 0.46
▸ CLK2 P49760 2/20 0.46
▸ CLK3 P49761 2/20 0.46

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
SCHEMBL5510605 0.91 WNT1 (0.52) MAP3K8DYRK1AGSK3BWNT1CCNA2
SCHEMBL5518740 0.84 CDK4 (0.64) MAP3K8CCNA2CDK2CDK4CCND1
SCHEMBL5523694 0.82 CDK2 (0.52) DYRK1AGSK3BWNT1CCNA2CDK2
SCHEMBL5517513 0.80 CDK1 (0.66) MAP3K8DYRK1AGSK3BWNT1CDK1
SCHEMBL5525186 0.76 WNT1 (0.53) MAP3K8DYRK1AGSK3BWNT1CCNA2
SCHEMBL5994987 0.76 CDK1 (0.60) MAP3K8DYRK1AGSK3BWNT1CDK1
SCHEMBL5514214 0.75 CDK1 (0.38) CCNA2CDK2CDK4CCND1CCND3
SCHEMBL5521430 0.74 MAP3K8 (0.79) MAP3K8CCNA2CDK2CDK4CCND1
SCHEMBL5518822 0.73 MAP3K8 (0.65) MAP3K8DYRK1ACCNA2CDK2CDK1
SCHEMBL1225462 0.73 MAP3K8 (0.77) MAP3K8CCNA2CDK2CDK1CCNB1

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 MAP3K8 110/4885DYRK1A 806/4885GSK3B 16/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAP3K8 110/4885DYRK1A 806/4885GSK3B 16/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAP3K8 110/4885DYRK1A 806/4885GSK3B 16/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 MAP3K8 560/4885DYRK1A 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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