SCHEMBL2016053

SCHEMBL2016053

CC1CCCCN1c1ncnc2[nH]ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 1.00
▸ JAK1 P23458 2/20 0.64
▸ LCK P06239 1/20 0.61
▸ LMNA P02545 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NCOA3 Q9Y6Q9 1/20 0.59
▸ AKT2 P31751 2/20 0.56
▸ GSK3B P49841 2/20 0.56
▸ KIT P10721 1/20 0.56
▸ DOT1L Q8TEK3 2/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ HTR2C P28335 1/20 0.51

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
SCHEMBL2024604 0.96 JAK3 (1.00) JAK3JAK1LCKLMNAHTT
SCHEMBL7852560 0.92 JAK3 (0.84) JAK3JAK1LCKLMNAHTT
SCHEMBL3951466 0.83 JAK3 (0.71) JAK3JAK1LCKAKT2GSK3B
SCHEMBL3956876 0.82 JAK3 (0.89) JAK3JAK1LCKAKT2GSK3B
SCHEMBL3959625 0.81 JAK3 (0.68) JAK3JAK1LCKAKT2GSK3B
SCHEMBL2020506 0.81 JAK3 (0.69) JAK3JAK1LCKAKT2GSK3B
SCHEMBL6742185 0.81 JAK3 (0.67) JAK3JAK1LCKAKT2GSK3B
SCHEMBL3956020 0.79 JAK3 (0.65) JAK3JAK1LCKAKT2GSK3B
SCHEMBL31706138 0.79 JAK3 (0.70) JAK3JAK1LCKAKT2GSK3B
SCHEMBL3960604 0.79 JAK3 (1.00) JAK3JAK1LCKAKT2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001045-A9 EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海椿安生物医药科技有限公司 2023-10-26 — — WO disclosed
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 — — US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 — — US disclosed
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
CN-1305479-A Pyrrolo [2,3-d] pyrmidine compounds PFIZER PROD INC (US) 2001-07-25 — — CN 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885LCK 206/4885
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds JAK1, JAK3, JAK2 JAK3 2/4885JAK1 1/4885LCK 4/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK1 3/4885LCK 206/4885

“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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