SCHEMBL406587

SCHEMBL406587

O=C(NC1CCC(O)CC1)c1cnn2ccc(NC3CCc4ccccc43)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 1.00
TYK2 P29597 3/20 1.00
JAK1 P23458 2/20 1.00
JAK3 P52333 2/20 1.00
NTRK1 P04629 10/20 0.56
PDE2A O00408 1/20 0.53
IRAK4 Q9NWZ3 5/20 0.49
PIM1 P11309 1/20 0.46

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
SCHEMBL10191603 1.00 JAK2 (1.00) JAK2TYK2JAK1JAK3NTRK1
SCHEMBL401805 0.90 TYK2 (0.82) JAK2TYK2JAK1JAK3NTRK1
SCHEMBL405216 0.88 TYK2 (0.79) JAK2TYK2JAK1JAK3NTRK1
SCHEMBL13355519 0.85 JAK2 (0.75) JAK2TYK2JAK1JAK3PDE2A
SCHEMBL15428573 0.85 JAK2 (0.74) JAK2TYK2JAK1JAK3PDE2A
SCHEMBL401679 0.83 JAK2 (0.71) JAK2TYK2JAK1JAK3NTRK1
SCHEMBL402685 0.80 JAK2 (0.67) JAK2TYK2JAK1JAK3NTRK1
SCHEMBL15428681 0.79 JAK2 (0.66) JAK2TYK2JAK1JAK3IRAK4
SCHEMBL400798 0.78 JAK2 (0.64) JAK2TYK2JAK1JAK3NTRK1
SCHEMBL10191604 0.78 JAK2 (0.64) JAK2TYK2JAK1JAK3NTRK1

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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-01-26 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-20120022043-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 JAK2 1/4885TYK2 18/4885JAK1 2/4885

“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.