SCHEMBL29622819

SCHEMBL29622819

COc1ncccc1CNc1ccnc(Nc2cnn(C)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.52
JAK2 O60674 4/20 0.52
JAK1 P23458 3/20 0.46
TYK2 P29597 3/20 0.46
CYP3A4 P08684 5/20 0.46
CYP2C19 P33261 3/20 0.46
AURKB Q96GD4 1/20 0.42
CYP2C9 P11712 2/20 0.42
FGFR2 P21802 1/20 0.42
FGFR3 P22607 1/20 0.42
CDK19 Q9BWU1 3/20 0.42
ALK Q9UM73 3/20 0.42
USP2 O75604 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL23088811 0.89 JAK3 (0.54) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL23088805 0.89 JAK3 (0.54) JAK3JAK2JAK1TYK2AURKB
SCHEMBL29622910 0.86 JAK3 (0.50) JAK3JAK2JAK1TYK2AURKB
SCHEMBL29622803 0.85 JAK3 (0.51) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL23088769 0.81 JAK1 (0.52) JAK3JAK2JAK1TYK2AURKB
SCHEMBL29622809 0.80 JAK3 (0.50) JAK3JAK2JAK1TYK2AURKB
SCHEMBL29622869 0.80 JAK3 (0.52) JAK3JAK2JAK1TYK2CYP3A4
SCHEMBL23088777 0.80 JAK3 (0.54) JAK3JAK2JAK1TYK2AURKB
SCHEMBL23088766 0.80 JAK3 (0.49) JAK3JAK2JAK1TYK2AURKB
SCHEMBL29622857 0.80 JAK1 (0.51) JAK3JAK2JAK1TYK2AURKB

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 JAK3 2/4885JAK2 3/4885JAK1 1/4885

“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.