SCHEMBL29622807

SCHEMBL29622807

NC(=O)c1cnc(Cl)nc1NCCc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 3/20 0.54
AKT1 P31749 1/20 0.54
STAT6 P42226 7/20 0.52
JAK3 P52333 6/20 0.51
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
NTRK1 P04629 1/20 0.46
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
CSNK2A2 P19784 2/20 0.46
CSNK2A1 P68400 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL22261345 1.00 RPS6KB1 (0.54) RPS6KB1AKT1STAT6JAK3JAK2
SCHEMBL4188524 0.90 CSNK2A2 (0.51) RPS6KB1AKT1STAT6JAK3CSNK2A2
Hydrochloric Acid SCHEMBL4178767 0.89 CSNK2A2 (0.50) RPS6KB1AKT1STAT6JAK3CSNK2A2
SCHEMBL22261198 0.89 JAK3 (0.62) RPS6KB1AKT1STAT6JAK3JAK2
SCHEMBL22261068 0.89 JAK2 (0.59) RPS6KB1STAT6JAK3JAK2JAK1
SCHEMBL29622999 0.89 JAK3 (0.62) RPS6KB1AKT1STAT6JAK3JAK2
SCHEMBL23088806 0.87 JAK3 (0.61) RPS6KB1STAT6JAK3JAK2JAK1
SCHEMBL29622760 0.87 JAK3 (0.61) RPS6KB1STAT6JAK3JAK2JAK1
SCHEMBL22261134 0.86 JAK3 (0.62) RPS6KB1STAT6JAK3AURKAAURKB
SCHEMBL29622769 0.86 JAK3 (0.62) RPS6KB1STAT6JAK3AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
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 RPS6KB1 2079/4885AKT1 469/4885STAT6 7/4885

“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.