SCHEMBL2021652

SCHEMBL2021652

CCOC(=O)C1CCCN(c2nc(Nc3cccc(S(N)(=O)=O)c3)nc3[nH]ccc23)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.53
GAA P10253 2/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
JAK1 P23458 2/20 0.44
GLA P06280 1/20 0.44
BTK Q06187 2/20 0.43
CYP2C19 P33261 2/20 0.42
MAPT P10636 2/20 0.42
BMPR2 Q13873 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL2021648 1.00 PAK4 (0.53) PAK4GAAUSP2SMN1; SMN2LMNA
SCHEMBL2022714 0.89 PAK4 (0.57) PAK4JAK1BTKBMPR2
SCHEMBL2022312 0.85 PAK4 (0.55) PAK4JAK1BTKBMPR2
SCHEMBL2022343 0.83 PAK4 (0.57) PAK4JAK1BTKBMPR2
SCHEMBL2022344 0.83 PAK4 (0.57) PAK4JAK1BTKBMPR2
SCHEMBL27797070 0.80 PAK4 (0.53) PAK4JAK1BTKBMPR2
SCHEMBL2016134 0.79 PAK4 (0.54) PAK4JAK1BTKBMPR2
SCHEMBL2016137 0.79 PAK4 (0.54) PAK4JAK1BTKBMPR2
SCHEMBL2018504 0.79 PAK4 (0.54) PAK4JAK1BMPR2
SCHEMBL2021849 0.79 PAK4 (0.49) PAK4JAK1

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 4 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
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 PAK4 603/4885GAA 4189/4885USP2 3189/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PAK4 603/4885GAA 4189/4885USP2 3189/4885

“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.