SCHEMBL3536474

SCHEMBL3536474

CC1CC(C)(C)CC1N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.66
JAK1 P23458 8/20 0.58
JAK2 O60674 5/20 0.56
TYK2 P29597 3/20 0.53
PKN2 Q16513 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL3536270 0.89 JAK3 (0.69) JAK3JAK1JAK2TYK2PKN2
SCHEMBL7850562 0.83 JAK3 (0.61) JAK3JAK1JAK2TYK2PKN2
SCHEMBL3540983 0.81 JAK3 (0.70) JAK3JAK1JAK2TYK2
SCHEMBL3539763 0.80 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL12148934 0.80 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL18134012 0.80 JAK3 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL3532556 0.78 JAK3 (1.00) JAK3JAK1JAK2TYK2PKN2
SCHEMBL3540637 0.78 JAK3 (0.82) JAK3JAK1JAK2TYK2
SCHEMBL5768408 0.78 JAK3 (0.73) JAK3JAK1JAK2TYK2PKN2
SCHEMBL3537623 0.77 JAK3 (0.71) JAK3JAK1JAK2TYK2

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.