SCHEMBL3960587

SCHEMBL3960587

Cc1ccccc1-c1c[nH]c2ncnc(N3CCCCC3)c12

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK3 Q13188 7/20 0.80
STK4 Q13043 6/20 0.80
LRRK2 Q5S007 18/20 0.70
CDC7 O00311 1/20 0.70
ROS1 P08922 1/20 0.70
KIT P10721 1/20 0.70
MARK3 P27448 1/20 0.70
FLT3 P36888 1/20 0.70
CDK8 P49336 1/20 0.70
MAP2K1 Q02750 1/20 0.70
MAP3K10 Q02779 1/20 0.70
MELK Q14680 1/20 0.70
MARK4 Q96L34 1/20 0.70
CAMKK2 Q96RR4 1/20 0.70
SIK2 Q9H0K1 1/20 0.70
CAMK2A Q9UQM7 1/20 0.70

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
Piperidine SCHEMBL7854697 0.94 STK3 (0.71) STK3STK4LRRK2CDC7ROS1
SCHEMBL31301646 0.89 STK4 (1.00) STK3STK4LRRK2
SCHEMBL3535044 0.83 LRRK2 (1.00) STK3STK4LRRK2CDC7ROS1
SCHEMBL15402600 0.82 LRRK2 (1.00) STK3STK4LRRK2CDC7ROS1
SCHEMBL4298450 0.82 AKT1 (0.64) STK3STK4LRRK2CDC7ROS1
SCHEMBL3959268 0.82 STK3 (0.80) STK3STK4LRRK2CDC7ROS1
SCHEMBL15401270 0.81 LRRK2 (1.00) STK3STK4LRRK2CDC7ROS1
SCHEMBL3538962 0.79 LRRK2 (0.81) STK3STK4LRRK2CDC7ROS1
SCHEMBL6639433 0.79 LRRK2 (0.81) STK3STK4LRRK2CDC7ROS1
SCHEMBL3955594 0.78 LRRK2 (0.68) STK3STK4LRRK2CDC7ROS1

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 4 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
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 STK3 211/4885STK4 425/4885LRRK2 972/4885

“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.