SCHEMBL6510318

SCHEMBL6510318

Cc1c(NC(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C=O)nn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ATR Q13535 4/20 0.32
KRAS P01116 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
POLQ O75417 1/20 0.31
IDO1 P14902 1/20 0.31
MAP4K1 Q92918 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
DGAT2 Q96PD7 1/20 0.30
FGFR1 P11362 1/20 0.30
DDR2 Q16832 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
SCHEMBL5848984 0.85 RXRA (0.33) RXRARXRBRXRGATRKRAS
SCHEMBL5848987 0.83 HTR2C (0.33) RXRARXRBRXRGKRAS
SCHEMBL6507707 0.82 HTR2C (0.38) RXRARXRBRXRGATRKRAS
SCHEMBL6508663 0.82 MAP3K8 (0.39) ABL1RXRARXRBRXRGATR
SCHEMBL6505740 0.81 PIK3CD (0.37) ABL1RXRARXRBRXRGATR
SCHEMBL6508762 0.81 KRAS (0.33) ABL1RXRARXRBRXRGATR
SCHEMBL6508905 0.80 ABL1 (0.32) ABL1RXRARXRBRXRGATR
SCHEMBL6504521 0.79 CYP4F2 (0.35) ABL1RXRARXRBRXRGATR
SCHEMBL6503042 0.78 HTR2C (0.33) RXRARXRBRXRG
SCHEMBL6504399 0.77 CYP4F2 (0.33) RXRARXRBRXRGATRCYP4F2

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 ABL1 822/4885RXRA 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.