SCHEMBL6284299

SCHEMBL6284299

Cc1cc(N(C)C)c2c(=O)n(CCCC[C@@H](C)N(C)C)c(=O)n(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
TNF P01375 4/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
NFKB1 P19838 1/20 0.32
ACHE P22303 1/20 0.32
ADORA2B P29275 1/20 0.32
PMP22 Q01453 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ADORA2A P29274 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
SCHEMBL6286350 0.89 TNF (0.34) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6286344 0.89 TNF (0.34) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6287007 0.83 TNF (0.35) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6286995 0.83 TNF (0.35) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6284269 0.74 ALDH1A1 (0.39) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6284271 0.74 ALDH1A1 (0.39) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6287645 0.72 TNF (0.33) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL680311 0.72 ADORA2B (0.61) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL681561 0.72 ADORA2B (0.61) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6887043 0.72 ADORA2B (0.61) TNFPDE4APDE4BPDE4CPDE4D

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 CHRNB2 3898/4885CHRNA4 4212/4885TNF 353/4885
US-20050059685-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK CHRNB2 3898/4885CHRNA4 4212/4885TNF 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.