SCHEMBL6508663

SCHEMBL6508663

Cc1c(NC(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(-c1nc3c([nH]1)CCCC3)nn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 1/20 0.39
JAK1 P23458 2/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
KRAS P01116 1/20 0.34
ABL1 P00519 2/20 0.33
ATR Q13535 4/20 0.32
FGFR1 P11362 1/20 0.31
DDR2 Q16832 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
DGAT2 Q96PD7 1/20 0.30
BRD4 O60885 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
SCHEMBL6508762 0.87 KRAS (0.33) RXRARXRBRXRGKRASABL1
SCHEMBL6505107 0.86 MAP3K8 (0.42) MAP3K8RXRARXRBRXRGKRAS
SCHEMBL6508905 0.84 ABL1 (0.32) RXRARXRBRXRGKRASABL1
SCHEMBL6506782 0.83 MAP3K8 (0.48) MAP3K8RXRARXRBRXRGATR
SCHEMBL6503321 0.83 FGFR1 (0.33) RXRARXRBRXRGABL1ATR
SCHEMBL6510318 0.82 ABL1 (0.36) RXRARXRBRXRGKRASABL1
SCHEMBL6512021 0.81 MAP3K8 (0.36) MAP3K8RXRARXRBRXRGKRAS
SCHEMBL6512277 0.81 MAP3K8 (0.47) MAP3K8JAK1RXRARXRBRXRG
SCHEMBL6502580 0.75 KRAS (0.33) MAP3K8RXRARXRBRXRGKRAS
SCHEMBL6504036 0.74 MAP3K8 (0.33) MAP3K8RXRARXRBRXRGKRAS

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 143/4885JAK1 109/4885RXRA 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.