SCHEMBL4539991

SCHEMBL4539991

Cc1ccc(-c2nnc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)o2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RXFP1 Q9HBX9 3/20 0.53
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.52
ABCC8 Q09428 1/20 0.50
KCNJ11 Q14654 1/20 0.50
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
UBE2N P61088 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
CASP1 P29466 1/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL18166682 0.85 LMNA (0.58) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL20561098 0.79 LMNA (0.80) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL17750785 0.73 LMNA (0.89) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL20561815 0.72 ADORA2B (0.71) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL14754373 0.72 SMN1; SMN2 (0.65) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL7018070 0.72 LMNA (0.68) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL11377514 0.72 RXFP1 (0.64) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL23297547 0.71 NUDT5 (0.58) SMN1; SMN2LMNAMAPK1HTTPOLB
SCHEMBL16120984 0.71 ADORA2B (0.81) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1
SCHEMBL11377142 0.71 ADORA2B (0.59) ADORA2BSMN1; SMN2RXFP1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 EP disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 EP disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ADORA2B 1599/4885SMN1; SMN2 1895/4885RXFP1 3119/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ADORA2B 1599/4885SMN1; SMN2 1895/4885RXFP1 3119/4885

“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.