SCHEMBL6289984

SCHEMBL6289984

CC(=O)O[C@H](C)CCCCn1c(=O)c2c(=O)cc(C)[nH]c2n(C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.37
CYP2C9 P11712 2/20 0.37
TNF P01375 3/20 0.36
CYP1A2 P05177 2/20 0.35
POLB P06746 2/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
ACHE P22303 1/20 0.30
PDE4A P27815 1/20 0.30
ADORA2B P29275 1/20 0.30
PMP22 Q01453 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 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
SCHEMBL6289989 1.00 GAA (0.37) GAACYP2C9TNFCYP1A2POLB
SCHEMBL6289499 0.87 POLB (0.38) GAACYP2C9TNFCYP1A2POLB
SCHEMBL6289497 0.87 POLB (0.38) GAACYP2C9TNFCYP1A2POLB
SCHEMBL6289495 0.85 SHMT2 (0.39) GAACYP2C9TNFCYP1A2HTT
SCHEMBL6289494 0.85 SHMT2 (0.39) GAACYP2C9TNFCYP1A2HTT
SCHEMBL6283312 0.85 POLB (0.39) GAACYP2C9TNFCYP1A2POLB
SCHEMBL6285561 0.81 POLB (0.38) GAACYP2C9TNFCYP1A2POLB
SCHEMBL6285558 0.81 POLB (0.38) GAACYP2C9TNFCYP1A2POLB
SCHEMBL6346602 0.77 TNF (0.37) TNFCYP1A2LMNASMN1; SMN2USP2
SCHEMBL6346603 0.77 TNF (0.37) TNFCYP1A2LMNASMN1; SMN2USP2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059685-A1 Pyridopyrimidine compounds and their uses CELL THERAPEUTICS, INC. (US) 2005-03-17 US disclosed
US-6825180-B2 CYTOKINE INTRACELLULAR SIGNALING INHIBITORS; ANTIINFLAMMATORY AGENTS CELL THERAPEUTICS, INC. 2004-11-30 US disclosed
US-20040023995-A1 Pyridopyrimidine compounds and their uses CELL THERAPEUTICS, INC. 2004-02-05 US disclosed
WO-2002094824-A1 PYRIDOPYRIMIDINE COMPOUNDS AND THEIR USES CELL THERAPEUTICS, INC. (US) 2002-11-28 WO 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 (2 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-20040023995-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK GAA 2313/4885CYP2C9 4462/4885TNF 353/4885
US-20050059685-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK GAA 2313/4885CYP2C9 4462/4885TNF 353/4885

“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.