SCHEMBL3536056

SCHEMBL3536056

CN(c1ncnc2[nH]cc(Cl)c12)C1CCCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.56
JAK1 P23458 7/20 0.56
JAK2 O60674 3/20 0.56
IRAK4 Q9NWZ3 3/20 0.51
LRRK2 Q5S007 2/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 2/20 0.44
AKT1 P31749 2/20 0.43
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL3536209 1.00 JAK3 (0.56) JAK3JAK1JAK2IRAK4LRRK2
SCHEMBL3537467 0.79 LRRK2 (0.67) JAK3JAK1JAK2IRAK4LRRK2
SCHEMBL3539127 0.78 STK4 (0.71) JAK3JAK1JAK2LRRK2TP53
SCHEMBL3542500 0.77 LRRK2 (0.58) JAK3JAK1JAK2IRAK4LRRK2
SCHEMBL7087811 0.74 STK4 (0.63) JAK3JAK1JAK2LRRK2TP53
SCHEMBL3533457 0.72 JAK3 (1.00) JAK3JAK1JAK2
SCHEMBL3542483 0.72 JAK3 (1.00) JAK3JAK1JAK2
SCHEMBL3542178 0.72 JAK3 (1.00) JAK3JAK1JAK2
SCHEMBL3541754 0.72 JAK3 (1.00) JAK3JAK1JAK2
SCHEMBL3535221 0.72 JAK3 (1.00) JAK3JAK1JAK2

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 7 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
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

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 JAK3 2/4885JAK1 1/4885JAK2 3/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 JAK3 1/4885JAK1 2/4885JAK2 3/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 JAK3 2/4885JAK1 1/4885JAK2 3/4885

“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.