SCHEMBL6506708

SCHEMBL6506708

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

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
ATR Q13535 1/20 0.31
CCNK O75909 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
CD274 Q9NZQ7 1/20 0.30
PDE7A Q13946 1/20 0.30
CCNT1 O60563 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL6508214 0.93 ATR (0.34) RXRARXRBRXRGATR
SCHEMBL6508245 0.92 RAB9A (0.35) RXRARXRBRXRGATR
SCHEMBL6508925 0.91 RXRA (0.32) RXRARXRBRXRGATR
SCHEMBL6508778 0.90 CYP4F2 (0.33) RXRARXRBRXRGATR
SCHEMBL6503887 0.90 MAPT (0.33) RXRARXRBRXRG
SCHEMBL6510591 0.88 PPARG (0.33) ATR
SCHEMBL6501956 0.88 PPARG (0.34) RXRARXRBRXRG
SCHEMBL6506730 0.88 RXRA (0.31) RXRARXRBRXRGCCNKCDK12
SCHEMBL6504318 0.88 RXRA (0.31) RXRARXRBRXRGATR
SCHEMBL6510723 0.88 CNR2 (0.31) RXRARXRBRXRG

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 RXRA 2748/4885RXRB 2441/4885RXRG 2226/4885

“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.