SCHEMBL3955342

SCHEMBL3955342

NC(=O)C1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 1/20 0.70
DOT1L Q8TEK3 2/20 0.68
JAK3 P52333 5/20 0.67
LRRK2 Q5S007 1/20 0.61
BTK Q06187 6/20 0.57
JAK2 O60674 2/20 0.57
JAK1 P23458 1/20 0.57
KIT P10721 1/20 0.56
AKT2 P31751 1/20 0.56
GSK3B P49841 1/20 0.56
PRKDC P78527 1/20 0.56
LCK P06239 1/20 0.55
TEC P42680 1/20 0.55
TXK P42681 1/20 0.55
BMX P51813 1/20 0.55
ITK Q08881 1/20 0.55

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
SCHEMBL7851332 0.92 PBK (0.60) PBKDOT1LJAK3LRRK2BTK
SCHEMBL3953793 0.91 DOT1L (0.68) PBKDOT1LJAK3BTKJAK2
SCHEMBL2018105 0.89 JAK3 (0.69) PBKDOT1LJAK3BTKJAK2
SCHEMBL30056647 0.85 AKT2 (0.69) DOT1LJAK3JAK2JAK1KIT
SCHEMBL22645626 0.85 AKT2 (0.69) DOT1LJAK3JAK2JAK1KIT
SCHEMBL3955700 0.84 JAK3 (0.61) DOT1LJAK3BTKJAK2JAK1
SCHEMBL3953560 0.84 JAK3 (0.61) DOT1LJAK3BTKJAK2JAK1
Diethylamine SCHEMBL27437004 0.84 JAK3 (0.61) DOT1LJAK3BTKJAK2JAK1
SCHEMBL28380201 0.83 JAK3 (0.65) DOT1LJAK3BTKJAK2JAK1
Nipecotic Acid SCHEMBL7851570 0.83 DOT1L (0.58) PBKDOT1LJAK3BTKJAK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
CN-1125070-C Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2003-10-22 CN disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 US disclosed
CN-1305479-A Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2001-07-25 CN 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 (1 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-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 PBK 229/4885DOT1L 1902/4885JAK3 2/4885

“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.