SCHEMBL3960897

SCHEMBL3960897

NC(=O)CCC1CCCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.64
DOT1L Q8TEK3 2/20 0.63
JAK3 P52333 5/20 0.61
PRKAB2 O43741 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA2 P54646 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PRKAG3 Q9UGI9 1/20 0.57
PRKAG2 Q9UGJ0 1/20 0.57
PRKAB1 Q9Y478 1/20 0.57
JAK2 O60674 2/20 0.56
TEC P42680 1/20 0.54
TXK P42681 1/20 0.54
BMX P51813 1/20 0.54
ITK Q08881 1/20 0.54
JAK1 P23458 1/20 0.53
AKT2 P31751 1/20 0.53
GSK3B P49841 1/20 0.53

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
SCHEMBL7843311 0.92 BTK (0.56) BTKDOT1LJAK3PRKAB2PRKAG1
SCHEMBL3960145 0.91 BTK (0.66) BTKDOT1LJAK3PRKAB2PRKAG1
SCHEMBL27458022 0.86 BTK (0.68) BTKDOT1LJAK3PRKAB2PRKAG1
SCHEMBL3959659 0.86 PRKAB2 (0.59) BTKDOT1LJAK3PRKAB2PRKAG1
SCHEMBL7843310 0.85 BTK (0.50) BTKDOT1LJAK3PRKAB2PRKAG1
SCHEMBL6740561 0.84 DOT1L (0.71) BTKDOT1LJAK3PRKAB2PRKAG1
SCHEMBL4127724 0.83 DOT1L (0.73) BTKDOT1LJAK3PRKAB2PRKAG1
SCHEMBL3955342 0.82 PBK (0.70) BTKDOT1LJAK3JAK2TEC
SCHEMBL3953793 0.80 DOT1L (0.68) BTKDOT1LJAK3JAK2JAK1
SCHEMBL2020261 0.79 DOT1L (0.74) BTKDOT1LJAK3PRKAB2PRKAG1

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-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

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 BTK 32/4885DOT1L 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.