SCHEMBL2320091

SCHEMBL2320091

Cc1ccc(S(=O)(=O)n2ccc3c(N(C)[C@H]4CNCC[C@H]4C)ncnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.42
▸ JAK1 P23458 12/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ JAK3 P52333 9/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ ATRIP Q8WXE1 1/20 0.34
▸ TYK2 P29597 2/20 0.33
▸ PKN2 Q16513 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33

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
SCHEMBL10228627 0.88 JAK1 (0.48) JAK2JAK1L3MBTL1HTR6
SCHEMBL10227678 0.88 JAK1 (0.48) JAK2JAK1L3MBTL1HTR6
SCHEMBL17711603 0.86 JAK3 (0.39) JAK2JAK1JAK3TYK2PKN2
SCHEMBL17545881 0.84 JAK1 (0.47) JAK2JAK1L3MBTL1JAK3HTR6
SCHEMBL10227681 0.83 JAK1 (0.48) JAK2JAK1L3MBTL1JAK3HTR6
SCHEMBL17545962 0.83 JAK1 (0.46) JAK2JAK1L3MBTL1JAK3HTR6
SCHEMBL12148936 0.81 JAK3 (0.42) JAK2JAK1L3MBTL1JAK3HTR6
SCHEMBL28416778 0.81 JAK1 (0.42) JAK2JAK1L3MBTL1JAK3ATR
SCHEMBL29712023 0.80 JAK1 (0.48) JAK2JAK1L3MBTL1JAK3TYK2
SCHEMBL2731818 0.80 JAK2 (0.43) JAK2JAK1L3MBTL1JAK3HTR6

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
CN-114685515-A Preparation method of tofacitinib 上海蓝乐鸟实业有限公司 2022-07-01 — — CN disclosed
CN-114644636-A Method for preparing tofacitinib key intermediate 江苏恒沛药物科技有限公司 2022-06-21 — — CN disclosed
EP-2531508-A1 PYRROLO [ 2, 3 - D]PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS Pfizer Inc. (US) 2012-12-12 — — EP disclosed
US-20120309776-A1 PYRROLO[2,3-D]PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS PFITZER INC. 2012-12-06 — — US disclosed
WO-2011097087-A1 PYRROLO [ 2, 3 - D] PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS PFIZER INC. (US) 2011-08-11 — — 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 (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-20120309776-A1 PYRROLO[2,3-D]PYRIMIDINE UREA COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 JAK2 3/4885JAK1 2/4885L3MBTL1 4069/4885

“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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