SCHEMBL6507066

SCHEMBL6507066

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.35
DGAT1 O75907 12/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
FGFR1 P11362 1/20 0.32
DDR2 Q16832 1/20 0.32

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
SCHEMBL6508778 0.90 CYP4F2 (0.33) RXRARXRBRXRG
SCHEMBL6508214 0.88 ATR (0.34) RXRARXRBRXRG
SCHEMBL6504318 0.87 RXRA (0.31) RXRARXRBRXRG
SCHEMBL6507048 0.87 MAP3K8 (0.31) RXRARXRBRXRG
SCHEMBL6508954 0.87 MAP3K8 (0.31) RXRARXRBRXRG
SCHEMBL6508925 0.87 RXRA (0.32) RXRARXRBRXRG
SCHEMBL6504155 0.86 FASN (0.35)
SCHEMBL6508245 0.86 RAB9A (0.35) RXRARXRBRXRG
SCHEMBL6507862 0.86 TBK1 (0.31) RXRARXRBRXRG
SCHEMBL6508384 0.85 HCRTR1 (0.30) 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 PTGDR2 649/4885DGAT1 3338/4885RXRA 2748/4885

“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.