SCHEMBL2018511

SCHEMBL2018511

O=C(O)C1CCCC(Nc2nc(Cl)nc3[nH]ccc23)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
HPGDS O60760 1/20 0.42
JAK3 P52333 11/20 0.41
PAK4 O96013 3/20 0.40
MAPK3 P27361 1/20 0.40
JAK1 P23458 2/20 0.39
JAK2 O60674 1/20 0.39
BTK Q06187 4/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL1018595 0.85 HPGDS (0.56) ADORA1ADORA3ADORA2AADORA2BHPGDS
SCHEMBL22975471 0.82 HPGDS (0.60) ADORA1ADORA3ADORA2AADORA2BHPGDS
SCHEMBL17731711 0.81 HPGDS (0.58) ADORA1ADORA3ADORA2AADORA2BHPGDS
SCHEMBL1071001 0.79 ADORA1 (0.56) ADORA1ADORA3ADORA2AADORA2BHPGDS
SCHEMBL28601840 0.79 JAK3 (0.55) JAK3JAK1BTK
SCHEMBL28601837 0.79 JAK3 (0.55) JAK3JAK1BTK
SCHEMBL22497059 0.76 PAK4 (0.46) ADORA1ADORA3ADORA2AADORA2BHPGDS
SCHEMBL22497061 0.76 PAK4 (0.46) ADORA1ADORA3ADORA2AADORA2BHPGDS
Hydrochloric Acid SCHEMBL22496764 0.75 PAK4 (0.45) ADORA1ADORA3ADORA2AADORA2BHPGDS
Hydrochloric Acid SCHEMBL22496762 0.75 PAK4 (0.45) ADORA1ADORA3ADORA2AADORA2BHPGDS

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
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 US disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 CN disclosed
EP-2142550-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS Palau Pharma, S.A. (ES) 2010-01-13 EP disclosed
WO-2008119792-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S. A. (ES) 2008-10-09 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 ADORA1 4697/4885ADORA3 2289/4885ADORA2A 4661/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 ADORA1 4697/4885ADORA3 2289/4885ADORA2A 4661/4885

“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.