SCHEMBL3538287

SCHEMBL3538287

CC(C)(O)C1CN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.59
▸ LCK P06239 1/20 0.58
▸ AKT2 P31751 2/20 0.56
▸ GSK3B P49841 2/20 0.56
▸ KIT P10721 1/20 0.56
▸ HTR2C P28335 1/20 0.55
▸ DOT1L Q8TEK3 2/20 0.54
▸ ATR Q13535 1/20 0.52
▸ ATRIP Q8WXE1 1/20 0.52
▸ JAK2 O60674 3/20 0.51
▸ JAK1 P23458 2/20 0.48

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
SCHEMBL3961817 0.88 JAK3 (0.69) JAK3LCKAKT2GSK3BKIT
SCHEMBL3959598 0.87 LCK (0.70) JAK3LCKAKT2GSK3BKIT
SCHEMBL3952874 0.79 JAK3 (0.75) JAK3LCKAKT2GSK3BKIT
SCHEMBL31732396 0.78 JAK3 (0.63) JAK3LCKAKT2GSK3BKIT
SCHEMBL3953429 0.78 JAK3 (0.65) JAK3LCKAKT2GSK3BKIT
SCHEMBL3539476 0.76 JAK3 (0.60) JAK3LCKAKT2GSK3BKIT
SCHEMBL31050016 0.76 AKT2 (0.63) JAK3LCKAKT2GSK3BKIT
SCHEMBL1050141 0.76 AKT2 (0.63) JAK3LCKAKT2GSK3BKIT
SCHEMBL7843438 0.74 HTR2C (0.53) JAK3LCKAKT2GSK3BKIT
SCHEMBL4053733 0.74 JAK3 (0.67) JAK3LCKAKT2GSK3BKIT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087970-B1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS PFIZER PROD INC (US) 2004-04-28 — — EP claimed
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds PFIZER INC. 2003-11-13 — — US claimed
US-20020019526-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2002-02-14 — — US claimed
CN-1305480-A Pyrrolo [2, 3-d ] pyrimidine compounds PFIZER PROD INC (US) 2001-07-25 — — CN claimed
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 JAK3 2/4885LCK 4/4885AKT2 731/4885
US-20050171128-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK3, JAK1, JAK2 JAK3 1/4885LCK 5/4885AKT2 950/4885
US-20030212273-A1 Pyrrolo [2,3-D] pyrimidine compounds JAK1, JAK3, JAK2 JAK3 2/4885LCK 4/4885AKT2 731/4885

“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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