SCHEMBL6502627

SCHEMBL6502627

CCN(Cc1cncc(-c2ccc3c(c2)c(-c2nc(-c4ccccc4)c(C(=O)NC)[nH]2)nn3C2CCCCO2)c1C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.35
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
KRAS P01116 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
SCHEMBL6510542 0.95 MAP3K8 (0.36) MAP3K8RXRARXRBRXRGKRAS
SCHEMBL6510555 0.94 MAP3K8 (0.35) MAP3K8RXRARXRBRXRGKRAS
SCHEMBL6508792 0.94 MAP3K8 (0.34) MAP3K8RXRARXRBRXRGKRAS
SCHEMBL6507148 0.94 MAP3K8 (0.40) MAP3K8RXRARXRBRXRGKRAS
SCHEMBL6507578 0.93 MAP3K8 (0.35) MAP3K8RXRARXRBRXRG
SCHEMBL6509659 0.93 MAP3K8 (0.34) MAP3K8
SCHEMBL6503242 0.93 MAP3K8 (0.34) MAP3K8KRAS
SCHEMBL6511498 0.92 MAP3K8 (0.34) MAP3K8
SCHEMBL6501669 0.92 MAP3K8 (0.34) MAP3K8
SCHEMBL6511258 0.92 MAP3K8 (0.33) MAP3K8KRAS

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 MAP3K8 143/4885RXRA 2748/4885RXRB 2441/4885

“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.