SCHEMBL29754252

SCHEMBL29754252

Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.58
JAK2 O60674 6/20 0.58
TYK2 P29597 5/20 0.58
JAK3 P52333 5/20 0.58
STAT3 P40763 2/20 0.58
KDR P35968 2/20 0.51
AURKB Q96GD4 2/20 0.51
ABL1 P00519 1/20 0.51
GSK3B P49841 1/20 0.51
AURKA O14965 1/20 0.49
IGF1R P08069 4/20 0.47
CDK19 Q9BWU1 2/20 0.46
ALK Q9UM73 2/20 0.46
AXL P30530 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
SCHEMBL22545979 1.00 JAK1 (0.58) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4561135 0.90 JAK1 (0.60) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4560821 0.88 AXL (0.59) JAK1JAK2TYK2JAK3STAT3
SCHEMBL5022297 0.88 JAK1 (0.61) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4561983 0.88 JAK2 (0.58) JAK1JAK2TYK2JAK3STAT3
SCHEMBL4561905 0.87 JAK2 (0.64) JAK1JAK2TYK2JAK3STAT3
SCHEMBL22544660 0.86 CDK19 (0.57) JAK1JAK2TYK2JAK3KDR
SCHEMBL29754198 0.86 CDK19 (0.57) JAK1JAK2TYK2JAK3KDR
SCHEMBL4559669 0.86 JAK1 (0.59) JAK1JAK2TYK2JAK3STAT3
SCHEMBL22097741 0.86 JAK2 (0.54) JAK1JAK2TYK2JAK3STAT3

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-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2022-08-18 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-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 JAK1 2/4885JAK2 3/4885TYK2 9/4885

“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.