SCHEMBL6502668

SCHEMBL6502668

Cc1c(CC(C)NC(=O)O)cncc1-c1ccc2c(c1)c(-c1ncc(C(=O)N(C)C3CCN(Cc4ccccc4)C3)[nH]1)nn2C1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
JAK1 P23458 1/20 0.31
MCHR1 Q99705 1/20 0.31
SCN1A P35498 2/20 0.31
SCN8A Q9UQD0 2/20 0.31
WNK1 Q9H4A3 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CHRM4 P08173 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6502649 0.89 ATR (0.32) RXRARXRBRXRGJAK1MCHR1
SCHEMBL6505150 0.88 MAP3K8 (0.33) RXRARXRBRXRGMEN1KMT2A
SCHEMBL6508798 0.85 RXRA (0.32) RXRARXRBRXRG
SCHEMBL6508973 0.83 RXRA (0.32) RXRARXRBRXRG
SCHEMBL6505430 0.83 RXRA (0.31) RXRARXRBRXRG
SCHEMBL6508264 0.82 RAB9A (0.34) RXRARXRBRXRG
SCHEMBL6508398 0.81 RXRA (0.31) RXRARXRBRXRG
SCHEMBL6503077 0.80 PFKFB3 (0.32) MCHR1
SCHEMBL6510743 0.79 CNR2 (0.31) RXRARXRBRXRG
SCHEMBL6500872 0.79 BTK (0.33)

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.