SCHEMBL6503097

SCHEMBL6503097

CC(C)(C)OC(=O)n1ccc2c(-c3ccc4c(c3)c(C#N)nn4C3CCCCO3)cncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
EPHB4 P54760 1/20 0.36
PRKDC P78527 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
KDM1A O60341 1/20 0.36
PIM1 P11309 1/20 0.35
MARK3 P27448 1/20 0.35
MAP4K2 Q12851 1/20 0.35
CAMK2B Q13554 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL6502250 0.89 RXRA (0.38) KDM1ARXRARXRBRXRGELANE
SCHEMBL6505740 0.87 PIK3CD (0.37) PIK3CDABL1EGFRHCKSRC
SCHEMBL6501860 0.80 HTR2C (0.39) GPR119RETPRMT5WDR77RXRA
SCHEMBL6509247 0.78 HTR2C (0.34) GPR119RETPRMT5WDR77RXRA
SCHEMBL6510117 0.76 CYP4F2 (0.34) KDRKDM1ARETRXRARXRB
SCHEMBL6503466 0.75 RXRA (0.38) RXRARXRBRXRGATR
SCHEMBL6500737 0.74 CYP4F2 (0.33) RETRXRARXRBRXRGCREBBP
SCHEMBL659294 0.69 ATR (0.38) RETRXRARXRBRXRGELANE
SCHEMBL6510318 0.69 ABL1 (0.36) ABL1RXRARXRBRXRGATR
SCHEMBL25473050 0.68 ATR (0.36) ABL1RETRXRARXRBRXRG

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 PIK3CD 252/4885ABL1 822/4885EGFR 624/4885

“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.