SCHEMBL6286758

SCHEMBL6286758

CNc1cc(C)nc2c1c(=O)n(CCCC[C@@H](C)O)c(=O)n2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 4/20 0.34
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 2/20 0.34
NFKB1 P19838 2/20 0.34
ACHE P22303 2/20 0.34
PDE4A P27815 2/20 0.34
PMP22 Q01453 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2B P29275 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 1/20 0.32
HTT P42858 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL6286762 1.00 TNF (0.34) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL6284269 0.86 ALDH1A1 (0.39) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL6284271 0.86 ALDH1A1 (0.39) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL6286304 0.86 TNF (0.35) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL6286306 0.86 TNF (0.35) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL6286350 0.82 TNF (0.34) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL6286344 0.82 TNF (0.34) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL6287645 0.77 TNF (0.33) TNFLMNASMN1; SMN2CYP1A2NFKB1
SCHEMBL681774 0.74 LMNA (0.44) TNFLMNASMN1; SMN2TSHRHTT
SCHEMBL6356830 0.73 GAA (0.50) LMNAUSP2ADORA2BHTTMAPT

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 TNF 353/4885LMNA 3136/4885SMN1; SMN2 1228/4885
US-20050059685-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK TNF 353/4885LMNA 3136/4885SMN1; SMN2 1228/4885

“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.