SCHEMBL6286344

SCHEMBL6286344

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.34
LMNA P02545 4/20 0.34
PDE4A P27815 3/20 0.34
CYP1A2 P05177 2/20 0.34
NFKB1 P19838 2/20 0.34
ACHE P22303 2/20 0.34
PMP22 Q01453 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2B P29275 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ESR1 P03372 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 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 1.00 TNF (0.34) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6284299 0.89 CHRNB2 (0.32) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6284269 0.86 ALDH1A1 (0.39) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6284271 0.86 ALDH1A1 (0.39) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6286995 0.86 TNF (0.35) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6287007 0.86 TNF (0.35) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6287645 0.83 TNF (0.33) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6286762 0.82 TNF (0.34) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL6286758 0.82 TNF (0.34) TNFLMNAPDE4ACYP1A2NFKB1
SCHEMBL19975702 0.75 TNF (0.46) TNFLMNAPDE4ACYP1A2NFKB1

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 3136/4885PDE4A 640/4885
US-20050059685-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK TNF 353/4885LMNA 3136/4885PDE4A 640/4885

“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.