SCHEMBL6503466

SCHEMBL6503466

O=Cc1nn(C2CCCCO2)c2ccc(-c3cncc4c3ccn4C(=O)O)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CYP4F2 P78329 2/20 0.31
CYP4A11 Q02928 2/20 0.31
ATR Q13535 3/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
MCL1 Q07820 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
SCHEMBL6505740 0.89 PIK3CD (0.37) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL6502250 0.85 RXRA (0.38) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL20592982 0.77 RXRA (0.37) RXRARXRBRXRGCD274CYP4F2
SCHEMBL6504521 0.76 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL12900076 0.76 RXRA (0.33) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20592826 0.75 CYP4F2 (0.36) RXRARXRBRXRGCD274CYP4F2
SCHEMBL12886311 0.75 MCL1 (0.40) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL6503097 0.75 PIK3CD (0.36) RXRARXRBRXRGATR
SCHEMBL6510318 0.74 ABL1 (0.36) RXRARXRBRXRGCYP11B1CYP11B2
SCHEMBL12010091 0.74 RXRA (0.40) RXRARXRBRXRGCD274

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.