SCHEMBL5438145

SCHEMBL5438145

CC(C)Cn1c(CCc2cccc3ccccc23)nc2c(N)nc(N)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.44
PTPN1 P18031 1/20 0.39
TLR8 Q9NR97 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
SRC P12931 2/20 0.37
ABL1 P00519 1/20 0.37
HCK P08631 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HRH2 P25021 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
ADORA2A P29274 1/20 0.37
ADRA1A P35348 1/20 0.37
NUDT1 P36639 1/20 0.37
HTR2B P41595 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL3441222 0.76 ALDH1A1 (0.46) TLR7TLR8LMNAPOLBHRH2
SCHEMBL5396347 0.70 TLR7 (0.40) TLR7ADORA2A
SCHEMBL3441104 0.69 MEN1 (0.50) TLR7CYP2D6ADORA2A
SCHEMBL3441040 0.68 TLR7 (0.39) TLR7TLR8ADORA2A
SCHEMBL13533456 0.67 TLR7 (0.65) TLR7TLR8
SCHEMBL5398282 0.66 ADORA2A (0.43) TLR7CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL5410118 0.65 TLR7 (0.45) TLR7LMNAADORA2A
SCHEMBL3441048 0.65 DHFR (0.46) TLR7CYP2D6ADORA2A
SCHEMBL1301722 0.65 TLR7 (0.72) TLR7TLR8
SCHEMBL5390832 0.64 ILK (0.44) TLR7TLR8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238700-B2 A2B adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
EP-1401837-B1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2005-10-19 EP disclosed
US-20040209899-A1 A2B adenosine receptor antagonists PALLE VENKATA (IN) 2004-10-21 US disclosed
US-6770651-B2 THERAPY FOR ASTHMA, DIARRHEA PALLE VENKATA (US) 2004-08-03 US disclosed
EP-1401837-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2004-03-31 EP disclosed
US-20030064999-A1 A2B adenosine receptor antagonists PALLE VENKATA (US) 2003-04-03 US disclosed
WO-2003006465-A1 PARTIAL AND FULL AGONIST OF A ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-01-23 WO disclosed
WO-2003002566-A1 PURINE DERIVATIVES AS A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-01-09 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-20030064999-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TLR7 1635/4885PTPN1 4581/4885TLR8 1348/4885
US-20040209899-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 TLR7 854/4885PTPN1 2484/4885TLR8 1207/4885

“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.