SCHEMBL2017842

SCHEMBL2017842

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.49
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
CA4 P22748 9/20 0.49
CA7 P43166 9/20 0.49
CA9 Q16790 9/20 0.49
PAK4 O96013 2/20 0.49
TRPV1 Q8NER1 2/20 0.46
BTK Q06187 2/20 0.44
BMPR2 Q13873 3/20 0.43
PDE5A O76074 2/20 0.43
KIT P10721 1/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL2018504 0.90 PAK4 (0.54) CA12CA1CA2CA4CA7
SCHEMBL27797070 0.83 PAK4 (0.53) PAK4BTKBMPR2PDE5AJAK1
SCHEMBL2021849 0.82 PAK4 (0.49) PAK4JAK1
SCHEMBL2022714 0.82 PAK4 (0.57) PAK4BTKBMPR2PDE5AJAK1
SCHEMBL2016134 0.82 PAK4 (0.54) PAK4BTKBMPR2PDE5AJAK1
SCHEMBL2016137 0.82 PAK4 (0.54) PAK4BTKBMPR2PDE5AJAK1
SCHEMBL2022344 0.81 PAK4 (0.57) PAK4BTKBMPR2PDE5AJAK1
SCHEMBL2022343 0.81 PAK4 (0.57) PAK4BTKBMPR2PDE5AJAK1
SCHEMBL2022312 0.79 PAK4 (0.55) PAK4BTKBMPR2PDE5AJAK1
SCHEMBL2021648 0.79 PAK4 (0.53) PAK4BTKBMPR2JAK1

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 2 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

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 CA12 4825/4885CA1 4820/4885CA2 4685/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 CA12 4825/4885CA1 4820/4885CA2 4685/4885

“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.