SCHEMBL5512136

SCHEMBL5512136

Cc1c(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)ccc(CCCO)c1O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP3K8 P41279 4/20 0.60
▸ JAK2 O60674 6/20 0.54
▸ JAK1 P23458 6/20 0.54
▸ TYK2 P29597 6/20 0.54
▸ JAK3 P52333 6/20 0.54
▸ CDK4 P11802 9/20 0.54
▸ CCNA2 P20248 9/20 0.54
▸ CCND1 P24385 9/20 0.54
▸ CDK2 P24941 9/20 0.54
▸ CCND3 P30281 9/20 0.54
▸ CHEK1 O14757 3/20 0.54
▸ KDR P35968 3/20 0.54
▸ PDPK1 O15530 3/20 0.49
▸ FGFR1 P11362 1/20 0.49

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
SCHEMBL5520010 0.86 MAP3K8 (0.77) MAP3K8CCNA2CDK2
SCHEMBL5518740 0.80 CDK4 (0.64) MAP3K8JAK2JAK1TYK2JAK3
SCHEMBL5521430 0.78 MAP3K8 (0.79) MAP3K8CDK4CCNA2CCND1CDK2
SCHEMBL5516217 0.78 CDK4 (0.40) MAP3K8JAK2JAK1TYK2JAK3
SCHEMBL5510097 0.77 MAP3K8 (0.72) MAP3K8CCNA2CDK2
SCHEMBL5516248 0.76 MAP3K8 (0.69) MAP3K8CDK4CCNA2CCND1CDK2
SCHEMBL5523267 0.76 CDK4 (0.69) MAP3K8JAK2JAK1TYK2JAK3
SCHEMBL5511822 0.75 CHEK1 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5511817 0.75 CHEK1 (0.45) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5510591 0.75 MAP3K8 (0.70) MAP3K8CDK4CCNA2CCND1CDK2

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 110/4885JAK2 359/4885JAK1 168/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAP3K8 110/4885JAK2 359/4885JAK1 168/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 MAP3K8 110/4885JAK2 359/4885JAK1 168/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 MAP3K8 560/4885JAK2 443/4885JAK1 597/4885

“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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