SCHEMBL29622880

SCHEMBL29622880

COc1ccccc1CNc1nc(Cl)ncc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.62
JAK1 P23458 5/20 0.62
JAK2 O60674 4/20 0.62
TYK2 P29597 1/20 0.62
AURKA O14965 1/20 0.58
RPS6KB1 P23443 1/20 0.58
STAT6 P42226 1/20 0.58
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 1/20 0.51
ASPH Q12797 1/20 0.51
KDM8 Q8N371 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL20844421 1.00 JAK3 (0.62) JAK3JAK1JAK2TYK2AURKA
SCHEMBL22261187 0.90 JAK3 (0.62) JAK3JAK1JAK2TYK2AURKA
SCHEMBL22261304 0.90 JAK3 (0.62) JAK3JAK1JAK2TYK2AURKA
SCHEMBL22261362 0.89 JAK3 (0.60) JAK3JAK1JAK2TYK2AURKA
SCHEMBL29622842 0.89 JAK3 (0.61) JAK3JAK1JAK2TYK2AURKA
SCHEMBL22261312 0.89 JAK3 (0.61) JAK3JAK1JAK2TYK2AURKA
SCHEMBL22261177 0.88 JAK3 (0.62) JAK3JAK1JAK2TYK2AURKA
SCHEMBL22261397 0.87 JAK3 (0.60) JAK3JAK1JAK2TYK2
SCHEMBL22261376 0.87 JAK3 (0.63) JAK3JAK1JAK2TYK2AURKA
SCHEMBL22261237 0.87 JAK3 (0.65) JAK3JAK1JAK2TYK2AURKA

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

“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.