SCHEMBL3537467

SCHEMBL3537467

CN(c1ncnc2[nH]cc(-c3ccccc3)c12)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.67
JAK3 P52333 5/20 0.54
JAK1 P23458 4/20 0.54
JAK2 O60674 2/20 0.54
LMNA P02545 1/20 0.53
STK3 Q13188 5/20 0.53
CDC7 O00311 2/20 0.53
MARK3 P27448 2/20 0.53
CDK8 P49336 2/20 0.53
MAP2K1 Q02750 2/20 0.53
CAMK2A Q9UQM7 2/20 0.53
ROS1 P08922 1/20 0.53
KIT P10721 1/20 0.53
FLT3 P36888 1/20 0.53
MAP3K10 Q02779 1/20 0.53
MELK Q14680 1/20 0.53
MARK4 Q96L34 1/20 0.53
CAMKK2 Q96RR4 1/20 0.53
SIK2 Q9H0K1 1/20 0.53
TP53 P04637 1/20 0.51

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
SCHEMBL3542500 0.88 LRRK2 (0.58) LRRK2JAK3JAK1JAK2LMNA
SCHEMBL3539127 0.87 STK4 (0.71) LRRK2JAK3JAK1JAK2STK3
Decarboxylated Derivative SCHEMBL7852317 0.82 LRRK2 (0.52) LRRK2JAK3JAK1JAK2LMNA
SCHEMBL7087811 0.82 STK4 (0.63) LRRK2JAK3JAK1JAK2STK3
SCHEMBL15401250 0.81 LRRK2 (1.00) LRRK2STK3CDC7MARK3CDK8
SCHEMBL3536209 0.79 JAK3 (0.56) LRRK2JAK3JAK1JAK2TP53
SCHEMBL3536056 0.79 JAK3 (0.56) LRRK2JAK3JAK1JAK2TP53
SCHEMBL2369031 0.76 LMNA (0.55) LRRK2LMNAMAP2K1CAMK2ATP53
SCHEMBL15401548 0.75 LRRK2 (1.00) LRRK2JAK3ROCK1IRAK4ROCK2
SCHEMBL3542881 0.74 CSF1R (0.71) JAK3JAK1JAK2EGFR

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 11 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-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-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 EP disclosed
CN-1128800-C Pyrolo [2,3-d] pyrimidine compounds PFIZER PROD INC (US) 2003-11-26 CN disclosed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 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
CN-1305480-A Pyrrolo [2, 3-d ] pyrimidine compounds PFIZER PROD INC (US) 2001-07-25 CN disclosed
EP-1087970-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 LRRK2 972/4885JAK3 2/4885JAK1 1/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 LRRK2 1190/4885JAK3 1/4885JAK1 2/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 LRRK2 972/4885JAK3 2/4885JAK1 1/4885

“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.