SCHEMBL2014412

SCHEMBL2014412

CC(=O)C1CCCN(c2nc(Cl)nc3[nH]ccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 1/20 0.47
JAK3 P52333 2/20 0.46
ATR Q13535 4/20 0.46
ATRIP Q8WXE1 4/20 0.46
PAK4 O96013 2/20 0.45
DOT1L Q8TEK3 2/20 0.44
BTK Q06187 8/20 0.42
TEC P42680 1/20 0.42
TXK P42681 1/20 0.42
BMX P51813 1/20 0.42
ITK Q08881 1/20 0.42
JAK2 O60674 1/20 0.41
HRH4 Q9H3N8 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
SCHEMBL2019866 0.86 ALDH1A1 (0.50) ATRATRIP
SCHEMBL2019864 0.86 ALDH1A1 (0.50) ATRATRIP
SCHEMBL2018105 0.82 JAK3 (0.69) PBKJAK3DOT1LBTKJAK2
SCHEMBL1017284 0.78 JAK3 (0.58) JAK3PAK4DOT1LJAK2HRH4
SCHEMBL1018334 0.77 TSHR (0.47) PBKJAK3JAK2HRH4
SCHEMBL1018704 0.76 JAK3 (0.59) JAK3PAK4DOT1LJAK2HRH4
SCHEMBL13392108 0.74 JAK2 (0.57) JAK3JAK2
SCHEMBL2022714 0.74 PAK4 (0.57) JAK3PAK4BTK
SCHEMBL3953793 0.71 DOT1L (0.68) PBKJAK3DOT1LBTKJAK2
SCHEMBL3955342 0.71 PBK (0.70) PBKJAK3DOT1LBTKTEC

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 PBK 1013/4885JAK3 1/4885ATR 2658/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 PBK 1013/4885JAK3 1/4885ATR 2658/4885

“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.