SCHEMBL6503065

SCHEMBL6503065

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2ncc(C(=O)N4CCN(CCOC)CC4)[nH]2)nn3C2CCCCO2)c1C)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.31
ATR Q13535 1/20 0.30

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
SCHEMBL6507862 0.93 TBK1 (0.31) ATR
SCHEMBL6504318 0.92 RXRA (0.31) ATR
SCHEMBL6508954 0.91 MAP3K8 (0.31) ATR
SCHEMBL6507048 0.91 MAP3K8 (0.31) ATR
SCHEMBL6504155 0.91 FASN (0.35) ATR
SCHEMBL6505128 0.90 MAP3K8 (0.33) ATR
SCHEMBL6502067 0.89 MEN1 (0.34) ATR
SCHEMBL6506318 0.88 TACR3 (0.34)
SCHEMBL6532791 0.88 ALDH1A1 (0.31)
SCHEMBL6506938 0.87 HCRTR1 (0.31)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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 (1 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 GSK3B 100/4885ATR 879/4885

“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.