SCHEMBL2016134

SCHEMBL2016134

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 2/20 0.54
JAK1 P23458 3/20 0.44
CDK1 P06493 3/20 0.44
CDK2 P24941 3/20 0.44
CCNB1 P14635 2/20 0.44
CCNT1 O60563 1/20 0.44
CDK7 P50613 1/20 0.44
CDK9 P50750 1/20 0.44
CCNH P51946 1/20 0.44
CDK5 Q00535 1/20 0.44
AKT2 P31751 1/20 0.44
GSK3B P49841 1/20 0.44
BMPR2 Q13873 6/20 0.43
CCNB2 O95067 1/20 0.43
CCNA2 P20248 1/20 0.43
NEK2 P51955 1/20 0.43
CCNA1 P78396 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
PDE5A O76074 3/20 0.42
JAK2 O60674 2/20 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
SCHEMBL2016137 1.00 PAK4 (0.54) PAK4JAK1CDK1CDK2CCNB1
SCHEMBL27797070 0.92 PAK4 (0.53) PAK4JAK1CDK1CDK2CCNB1
SCHEMBL2018504 0.86 PAK4 (0.54) PAK4JAK1CDK1CDK2BMPR2
SCHEMBL2021849 0.82 PAK4 (0.49) PAK4JAK1JAK2JAK3
SCHEMBL2017842 0.82 CA12 (0.49) PAK4JAK1BMPR2PDE5ABTK
SCHEMBL2022343 0.81 PAK4 (0.57) PAK4JAK1CDK1CDK2BMPR2
SCHEMBL2022714 0.81 PAK4 (0.57) PAK4JAK1CDK1CDK2BMPR2
SCHEMBL2022344 0.81 PAK4 (0.57) PAK4JAK1CDK1CDK2BMPR2
SCHEMBL28455827 0.80 PAK4 (0.78) PAK4JAK1BTK
SCHEMBL2022312 0.80 PAK4 (0.55) PAK4JAK1CDK1CDK2BMPR2

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 PAK4 603/4885JAK1 3/4885CDK1 175/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PAK4 603/4885JAK1 3/4885CDK1 175/4885

“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.