SCHEMBL2018504

SCHEMBL2018504

CN[C@@H]1CCN(c2nc(Nc3cccc(S(N)(=O)=O)c3)nc3[nH]ccc23)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.54
PDE5A O76074 5/20 0.47
BMPR2 Q13873 8/20 0.45
DOT1L Q8TEK3 1/20 0.45
JAK2 O60674 1/20 0.42
BRD4 O60885 1/20 0.42
JAK1 P23458 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
MTOR P42345 1/20 0.41
SMG1 Q96Q15 1/20 0.41

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
SCHEMBL2017842 0.90 CA12 (0.49) PAK4PDE5ABMPR2JAK1CA12
SCHEMBL2016137 0.86 PAK4 (0.54) PAK4PDE5ABMPR2JAK2JAK1
SCHEMBL2016134 0.86 PAK4 (0.54) PAK4PDE5ABMPR2JAK2JAK1
SCHEMBL27797070 0.85 PAK4 (0.53) PAK4PDE5ABMPR2JAK2JAK1
SCHEMBL2021849 0.83 PAK4 (0.49) PAK4JAK2JAK1
SCHEMBL2022714 0.83 PAK4 (0.57) PAK4PDE5ABMPR2JAK1CDK1
SCHEMBL2022343 0.83 PAK4 (0.57) PAK4PDE5ABMPR2JAK2BRD4
SCHEMBL2022344 0.83 PAK4 (0.57) PAK4PDE5ABMPR2JAK2BRD4
SCHEMBL2022312 0.81 PAK4 (0.55) PAK4PDE5ABMPR2JAK1CDK1
SCHEMBL2021648 0.79 PAK4 (0.53) PAK4BMPR2JAK1

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 603/4885PDE5A 1394/4885BMPR2 2802/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PAK4 603/4885PDE5A 1394/4885BMPR2 2802/4885

“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.