SCHEMBL6504071

SCHEMBL6504071

CCN(Cc1cncc(-c2ccc3c(c2)c(C=CC(C)=O)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL5848987 0.92 HTR2C (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6511492 0.86 HTR2C (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6509247 0.86 HTR2C (0.34) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6503042 0.85 HTR2C (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6508199 0.84 HTR2C (0.32) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6507707 0.84 HTR2C (0.38) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6505297 0.83 HTR2C (0.31) HTR2CSLC6A4
SCHEMBL6508505 0.83 MAP3K8 (0.38) HTR2CSLC6A4
SCHEMBL6502580 0.83 KRAS (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6512214 0.82 ATR (0.33) HTR2CSLC6A4RXRARXRBRXRG

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 2 patents. 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
WO-2005035497-A1 CASPASE INHIBITOR COMPRISING 2-ALKYL-4-OXOBUTANOYL GROUP AND PHARMACEUTICAL COMPOSITION THEREOF LG LIFE SCIENCES LTD. (KR) 2005-04-21 WO 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 HTR2C 3032/4885SLC6A4 4689/4885RXRA 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.