SCHEMBL3959598

SCHEMBL3959598

CC(C)(O)C1CCN(c2ncnc3[nH]ccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.70
▸ AKT2 P31751 4/20 0.67
▸ GSK3B P49841 3/20 0.67
▸ KIT P10721 1/20 0.67
▸ JAK3 P52333 10/20 0.63
▸ HTR2C P28335 1/20 0.59
▸ DOT1L Q8TEK3 2/20 0.55
▸ JAK2 O60674 3/20 0.55
▸ ATR Q13535 1/20 0.54
▸ ATRIP Q8WXE1 1/20 0.54
▸ JAK1 P23458 2/20 0.53
▸ TYK2 P29597 1/20 0.53

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
SCHEMBL3538287 0.87 JAK3 (0.59) LCKAKT2GSK3BKITJAK3
SCHEMBL7843438 0.86 HTR2C (0.53) LCKAKT2GSK3BKITJAK3
SCHEMBL3961817 0.85 JAK3 (0.69) LCKAKT2GSK3BKITJAK3
SCHEMBL3952655 0.85 AKT2 (0.72) LCKAKT2GSK3BKITJAK3
SCHEMBL2022699 0.84 AKT2 (0.78) LCKAKT2GSK3BKITJAK3
SCHEMBL2019457 0.82 LCK (1.00) LCKAKT2GSK3BKITJAK3
SCHEMBL30673936 0.81 AKT2 (1.00) LCKAKT2GSK3BKITJAK3
SCHEMBL1003408 0.81 AKT2 (1.00) LCKAKT2GSK3BKITJAK3
SCHEMBL2019251 0.81 AKT2 (0.83) LCKAKT2GSK3BKITJAK3
SCHEMBL3955148 0.81 AKT2 (0.74) LCKAKT2GSK3BKITJAK3

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 5 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
CN-1125070-C Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2003-10-22 — — CN 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 LCK 4/4885AKT2 731/4885GSK3B 666/4885

“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.

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