SCHEMBL5510140

SCHEMBL5510140

Oc1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 8/20 0.83
CCNA2 P20248 8/20 0.83
CCND1 P24385 8/20 0.83
CDK2 P24941 8/20 0.83
CCND3 P30281 8/20 0.83
JAK2 O60674 5/20 0.83
JAK1 P23458 5/20 0.83
TYK2 P29597 5/20 0.83
JAK3 P52333 5/20 0.83
PDPK1 O15530 6/20 0.71
ITK Q08881 1/20 0.62
FGFR1 P11362 2/20 0.61
FLT1 P17948 1/20 0.61
CHEK1 O14757 4/20 0.61
KDR P35968 3/20 0.59
ATR Q13535 1/20 0.55

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
SCHEMBL5246946 0.91 CDK4 (1.00) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5513046 0.90 CDK4 (0.67) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5508118 0.89 PDPK1 (0.74) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3537965 0.87 ITK (0.76) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL3533024 0.86 PDPK1 (0.73) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5511614 0.84 CDK4 (0.65) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL15869066 0.83 WNT1 (0.73) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL5523267 0.83 CDK4 (0.69) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL25418501 0.83 PDPK1 (0.71) CDK4CCNA2CCND1CDK2CCND3
SCHEMBL31472525 0.83 PDPK1 (0.71) 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 CDK4 4/4885CCNA2 251/4885CCND1 178/4885
US-20020161022-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CDK4 4/4885CCNA2 251/4885CCND1 178/4885
US-20030139463-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, MKI67, ROCK1 CDK4 4/4885CCNA2 251/4885CCND1 178/4885
US-20060111322-A1 Indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation MKI67, CCNI, CDK3 CDK4 10/4885CCNA2 46/4885CCND1 69/4885

“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.