SCHEMBL29622857

SCHEMBL29622857

Cn1cc(Nc2nccc(NCc3ccccc3C#N)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.51
JAK2 O60674 11/20 0.51
JAK3 P52333 6/20 0.51
TYK2 P29597 10/20 0.48
STAT3 P40763 1/20 0.48
AURKA O14965 2/20 0.47
MAP3K14 Q99558 1/20 0.47
TBK1 Q9UHD2 1/20 0.43
AURKB Q96GD4 1/20 0.42
LRRK2 Q5S007 1/20 0.42
CDK19 Q9BWU1 2/20 0.42
ALK Q9UM73 2/20 0.42

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
SCHEMBL23088769 0.83 JAK1 (0.52) JAK1JAK2JAK3TYK2STAT3
SCHEMBL29622910 0.82 JAK3 (0.50) JAK1JAK2JAK3TYK2STAT3
SCHEMBL23088777 0.82 JAK3 (0.54) JAK1JAK2JAK3TYK2STAT3
SCHEMBL23088766 0.82 JAK3 (0.49) JAK1JAK2JAK3TYK2STAT3
SCHEMBL29622803 0.81 JAK3 (0.51) JAK1JAK2JAK3TYK2STAT3
SCHEMBL15557108 0.81 JAK1 (0.47) JAK1JAK2JAK3TYK2STAT3
SCHEMBL29622869 0.80 JAK3 (0.52) JAK1JAK2JAK3TYK2AURKB
SCHEMBL29622819 0.80 JAK3 (0.52) JAK1JAK2JAK3TYK2STAT3
SCHEMBL23088802 0.78 JAK1 (0.61) JAK1JAK2JAK3TYK2STAT3
SCHEMBL22261167 0.78 JAK3 (0.81) JAK1JAK2JAK3TYK2

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-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2022-05-31 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-11344549-B2 2-substituted pyrazole amino-4-substituted amino-5-pyrimidine formamide compound, composition, and application thereof JAK1, JAK3, JAK2 JAK1 1/4885JAK2 3/4885JAK3 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.