SCHEMBL3535567

SCHEMBL3535567

N#Cc1c[nH]c2ncnc(N3CCCCC3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 1/20 0.67
LRRK2 Q5S007 14/20 0.63
ROCK2 O75116 4/20 0.61
ROCK1 Q13464 4/20 0.61
CDC42BPB Q9Y5S2 4/20 0.61
CDC42BPA Q5VT25 2/20 0.61
STK3 Q13188 2/20 0.58
CDC7 O00311 1/20 0.58
ROS1 P08922 1/20 0.58
KIT P10721 1/20 0.58
MARK3 P27448 1/20 0.58
FLT3 P36888 1/20 0.58
CDK8 P49336 1/20 0.58
MAP2K1 Q02750 1/20 0.58
MAP3K10 Q02779 1/20 0.58
MELK Q14680 1/20 0.58
MARK4 Q96L34 1/20 0.58
CAMKK2 Q96RR4 1/20 0.58
SIK2 Q9H0K1 1/20 0.58
CAMK2A Q9UQM7 1/20 0.58

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
SCHEMBL3536255 0.86 LRRK2 (0.58) CHUKLRRK2ROCK2ROCK1CDC42BPB
SCHEMBL3955185 0.79 LRRK2 (0.63) LRRK2STK3CDC7ROS1KIT
SCHEMBL15400684 0.78 LRRK2 (1.00) LRRK2
SCHEMBL4298450 0.78 AKT1 (0.64) LRRK2STK3CDC7ROS1KIT
SCHEMBL3536069 0.78 AKT1 (0.69) LRRK2STK3CDC7ROS1KIT
SCHEMBL24672196 0.76 CDC42BPB (1.00) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL4005724 0.76 LRRK2 (0.61) LRRK2STK3CDC7ROS1KIT
SCHEMBL15401845 0.76 LRRK2 (1.00) LRRK2STK3STK4
SCHEMBL24672111 0.74 CDC42BPB (1.00) ROCK2ROCK1CDC42BPBCDC42BPA
SCHEMBL3954467 0.74 LRRK2 (0.58) LRRK2STK3CDC7ROS1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687507-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2010-03-30 US disclosed
US-7569569-B2 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. (US) 2009-08-04 US disclosed
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC 2005-08-04 US disclosed
US-6890929-B2 Immunosuppressants; lupus, multiple sclerosis, skin disorders, antiarthritic agents, antihistamines, antiulcer agents, Crohn's disease PFIZER, INC. (US) 2005-05-10 US disclosed
EP-1087971-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-07-07 EP disclosed
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 US disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 US disclosed
US-6635762-B1 Protein tyrosine kinase or Janus Kinase 3 inhibitors; immunosuppressants PFIZER INC. 2003-10-21 US disclosed
US-6610847-B2 Tyrosine kinase inhibitors; immunosuppressants PFIZER INC. 2003-08-26 US disclosed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 US disclosed
EP-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
EP-1087971-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed
WO-1999065909-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 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 (4 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 CHUK 160/4885LRRK2 972/4885ROCK2 481/4885
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 CHUK 160/4885LRRK2 972/4885ROCK2 481/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 CHUK 196/4885LRRK2 1190/4885ROCK2 686/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 CHUK 160/4885LRRK2 972/4885ROCK2 481/4885

“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.