SCHEMBL3532838

SCHEMBL3532838

CC1CCC(N(C)c2ncnc3[nH]ccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 1.00
JAK3 P52333 12/20 1.00
JAK2 O60674 10/20 0.78
TYK2 P29597 4/20 0.64

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
SCHEMBL7855082 0.93 JAK1 (0.86) JAK1JAK3JAK2TYK2
SCHEMBL3536022 0.92 JAK3 (0.88) JAK1JAK3JAK2TYK2
SCHEMBL3534102 0.90 JAK3 (0.97) JAK1JAK3JAK2TYK2
SCHEMBL22001726 0.89 JAK1 (0.80) JAK1JAK3JAK2TYK2
SCHEMBL29517918 0.89 JAK1 (0.80) JAK1JAK3JAK2TYK2
SCHEMBL3534331 0.89 JAK3 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL15978535 0.87 JAK3 (0.81) JAK1JAK3JAK2TYK2
SCHEMBL3533457 0.87 JAK3 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL3542178 0.87 JAK3 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL3542483 0.87 JAK3 (1.00) JAK1JAK3JAK2TYK2

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