SCHEMBL3957905

SCHEMBL3957905

c1ccc(CCCC2CCN(c3ncnc4[nH]ccc34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 4/20 0.65
▸ GSK3B P49841 3/20 0.65
▸ KIT P10721 2/20 0.60
▸ LCK P06239 1/20 0.59
▸ JAK3 P52333 8/20 0.55
▸ JAK2 O60674 3/20 0.55
▸ JAK1 P23458 2/20 0.55
▸ TYK2 P29597 2/20 0.55
▸ HTR2C P28335 1/20 0.53
▸ DOT1L Q8TEK3 1/20 0.53
▸ BTK Q06187 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
SCHEMBL7853366 0.95 AKT2 (0.58) AKT2GSK3BKITLCKJAK3
SCHEMBL2048915 0.86 AKT2 (0.70) AKT2GSK3BKITLCKJAK3
SCHEMBL7852543 0.81 AKT2 (0.63) AKT2GSK3BKITLCKJAK3
SCHEMBL3955148 0.81 AKT2 (0.74) AKT2GSK3BKITLCKJAK3
SCHEMBL4125661 0.79 AKT2 (1.00) AKT2GSK3BKITLCKJAK3
SCHEMBL2022114 0.78 AKT2 (0.69) AKT2GSK3BKITLCKJAK3
SCHEMBL9938728 0.77 KIT (0.62) AKT2GSK3BKITLCKJAK3
SCHEMBL1003408 0.76 AKT2 (1.00) AKT2GSK3BKITLCKJAK3
SCHEMBL30673936 0.76 AKT2 (1.00) AKT2GSK3BKITLCKJAK3
SCHEMBL2022699 0.76 AKT2 (0.78) AKT2GSK3BKITLCKJAK3

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 4 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
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 AKT2 731/4885GSK3B 666/4885KIT 1752/4885

“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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