SCHEMBL6742185

SCHEMBL6742185

OCC1CCCCN1c1ncnc2[nH]ccc12

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.67
▸ JAK1 P23458 3/20 0.60
▸ AKT2 P31751 2/20 0.53
▸ GSK3B P49841 2/20 0.53
▸ KIT P10721 1/20 0.52
▸ HTR2C P28335 1/20 0.51
▸ LCK P06239 1/20 0.51
▸ DOT1L Q8TEK3 1/20 0.51
▸ CUL4A Q13619 1/20 0.49

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
SCHEMBL6743217 0.96 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL3956020 0.90 JAK3 (0.65) JAK3JAK1AKT2GSK3BKIT
SCHEMBL3951466 0.88 JAK3 (0.71) JAK3JAK1AKT2GSK3BKIT
SCHEMBL3959625 0.85 JAK3 (0.68) JAK3JAK1AKT2GSK3BKIT
SCHEMBL7842637 0.82 JAK3 (0.54) JAK3JAK1AKT2GSK3BKIT
SCHEMBL28887147 0.81 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL28068350 0.81 JAK3 (0.67) JAK3JAK1AKT2GSK3BKIT
SCHEMBL2016053 0.81 JAK3 (1.00) JAK3JAK1AKT2GSK3BKIT
SCHEMBL31706138 0.81 JAK3 (0.70) JAK3JAK1AKT2GSK3BKIT
SCHEMBL3961208 0.81 JAK3 (0.66) JAK3JAK1AKT2GSK3BKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058922-A1 Pyrrolo[2,3-d]pyrimidine compounds PFIZER INC. 2004-03-25 — — 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 JAK3 2/4885JAK1 1/4885AKT2 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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