SCHEMBL6284271

SCHEMBL6284271

Cc1cc(C)c2c(=O)n(CCCCC(C)O)c(=O)n(C)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
G6PD P11413 1/20 0.37
TNF P01375 4/20 0.36
LMNA P02545 2/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
NFKB1 P19838 1/20 0.36
ACHE P22303 1/20 0.36
ADORA2B P29275 1/20 0.36
PMP22 Q01453 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6284269 1.00 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2TSHRG6PDTNF
SCHEMBL6287645 0.88 TNF (0.33) SMN1; SMN2TSHRTNFLMNAPDE4A
SCHEMBL6286350 0.86 TNF (0.34) SMN1; SMN2TSHRTNFLMNAPDE4A
SCHEMBL6286758 0.86 TNF (0.34) SMN1; SMN2TSHRTNFLMNAPDE4A
SCHEMBL6286762 0.86 TNF (0.34) SMN1; SMN2TSHRTNFLMNAPDE4A
SCHEMBL6286344 0.86 TNF (0.34) SMN1; SMN2TSHRTNFLMNAPDE4A
SCHEMBL6284987 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRG6PDTNF
SCHEMBL6284990 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2TSHRG6PDTNF
SCHEMBL6283352 0.77 SHMT2 (0.43) SMN1; SMN2TNFKDM4EHSD17B10
SCHEMBL6283348 0.77 SHMT2 (0.43) SMN1; SMN2TNFKDM4EHSD17B10

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 3 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

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 ALDH1A1 3004/4885SMN1; SMN2 1228/4885TSHR 2801/4885
US-20050059685-A1 Pyridopyrimidine compounds and their uses PLPBP, MAVS, PDXK ALDH1A1 3004/4885SMN1; SMN2 1228/4885TSHR 2801/4885

“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.