SCHEMBL6861215

SCHEMBL6861215

Cn1cnc2c1c(=O)n(CC(N)=O)c(=O)n2C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.77
TRPA1 O75762 3/20 0.68
TNF P01375 2/20 0.62
ACHE P22303 2/20 0.62
USP2 O75604 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
PDE4A P27815 1/20 0.62
PMP22 Q01453 1/20 0.62
PDE4B Q07343 1/20 0.62
PDE4C Q08493 1/20 0.62
PDE4D Q08499 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
GLA P06280 1/20 0.60
BLM P54132 1/20 0.60
PIK3CD O00329 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL20863739 0.87 ADORA2B (1.00) ADORA2BTRPA1TNFACHEUSP2
SCHEMBL356160 0.87 ADORA2B (1.00) ADORA2BTNFACHEUSP2LMNA
Guanidine SCHEMBL8402439 0.87 ADORA2B (0.87) ADORA2BTRPA1TNFACHEUSP2
SCHEMBL18255987 0.85 ADORA2B (0.81) ADORA2BTNFACHEUSP2LMNA
SCHEMBL10407732 0.84 ADORA2B (0.75) ADORA2BTRPA1TNFACHEUSP2
SCHEMBL10407485 0.84 ADORA2B (0.75) ADORA2BTRPA1TNFACHEUSP2
SCHEMBL4316404 0.84 ADORA2B (0.75) ADORA2BTRPA1TNFACHEUSP2
SCHEMBL10407724 0.84 ADORA2B (0.75) ADORA2BTRPA1TNFACHEUSP2
Zinc Ion SCHEMBL10408407 0.84 ADORA2B (0.75) ADORA2BTRPA1TNFACHEUSP2
SCHEMBL14520054 0.83 ADORA2B (0.65) ADORA2BTRPA1TNFACHEUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups CONJUCHEM, INC. (CA) 2004-08-12 US claimed
EP-1235618-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS Conjuchem, Inc. (CA) 2002-09-04 EP claimed
WO-2001017568-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS CONJUCHEM, INC. (CA) 2001-03-15 WO claimed
US-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups CONJUCHEM, INC. (CA) 2004-08-12 US disclosed
EP-1235618-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS Conjuchem, Inc. (CA) 2002-09-04 EP disclosed
WO-2001017568-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS CONJUCHEM, INC. (CA) 2001-03-15 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 (1 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-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups OGFR, HDGF, SERPINA6 ADORA2B 1853/4885TRPA1 1334/4885TNF 664/4885

“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.