SCHEMBL5848987

SCHEMBL5848987

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
KRAS P01116 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
SCHEMBL6503042 0.92 HTR2C (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6504071 0.92 HTR2C (0.32) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6507707 0.92 HTR2C (0.38) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6511492 0.89 HTR2C (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6509247 0.88 HTR2C (0.34) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6508199 0.86 HTR2C (0.32) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL12900076 0.86 RXRA (0.33) RXRARXRBRXRG
SCHEMBL6502580 0.85 KRAS (0.33) HTR2CSLC6A4RXRARXRBRXRG
SCHEMBL6505297 0.85 HTR2C (0.31) HTR2CSLC6A4KRAS
SCHEMBL6508505 0.85 MAP3K8 (0.38) HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-02-10 US disclosed
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2006-06-29 US disclosed
US-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester AGOURON PHARMACEUTICALS, INC. 2006-06-01 US disclosed
US-7008953-B2 3, 5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. (US) 2006-03-07 US disclosed
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
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation AGOURON PHARMACEUTICALS, INC. 2005-02-03 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 (5 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-20060116519-A1 Synthesis of 5-bromo-4-methyl-pyridin-3-ylmethyl)-ethyl-carbamic acid tert-butyl ester TERT, BRD4, PRMT5 HTR2C 1967/4885SLC6A4 3948/4885RXRA 1293/4885
US-20050026960-A1 3, 5 disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 HTR2C 3224/4885SLC6A4 4754/4885RXRA 1827/4885
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
US-20110034441-A1 INDAZOLES AS WNT/B-CATENIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 HTR2C 2210/4885SLC6A4 3631/4885RXRA 3024/4885
US-20060142345-A1 3,5 Disubstituted indazole compounds, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDKL3 HTR2C 3224/4885SLC6A4 4754/4885RXRA 1827/4885

“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.