SCHEMBL29754155

SCHEMBL29754155

CCOc1ccc(-c2nc(Nc3cnn(C)c3)ncc2C)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 7/20 0.52
JAK3 P52333 6/20 0.52
JAK2 O60674 5/20 0.52
TYK2 P29597 5/20 0.52
STAT3 P40763 2/20 0.52
AXL P30530 5/20 0.47
ABL1 P00519 1/20 0.46
KDR P35968 1/20 0.46
GSK3B P49841 1/20 0.46
AURKB Q96GD4 1/20 0.46
TTK P33981 1/20 0.44
CCNB2 O95067 3/20 0.42
CDK1 P06493 3/20 0.42
CCNB1 P14635 3/20 0.42
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
CCNB3 Q8WWL7 3/20 0.42
CCNT1 O60563 2/20 0.42
CCNE2 O96020 2/20 0.42
CCNE1 P24864 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
SCHEMBL4561798 1.00 JAK1 (0.52) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4561887 0.92 JAK1 (0.50) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4543495 0.90 JAK1 (0.50) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4536557 0.90 JAK2 (0.50) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4561182 0.90 JAK1 (0.52) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4560086 0.89 JAK2 (0.47) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4561938 0.89 JAK1 (0.49) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4558958 0.89 JAK1 (0.49) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4561602 0.89 JAK3 (0.45) JAK1JAK3JAK2TYK2STAT3
SCHEMBL4540897 0.89 JAK2 (0.48) JAK1JAK3JAK2TYK2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702683-A Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-09-27 CN disclosed
US-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-02 US disclosed
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 CN disclosed
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-03-14 US disclosed
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 (3 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-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof JAK3, JAK1, JAK2 JAK1 2/4885JAK3 1/4885JAK2 3/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 JAK1 2/4885JAK3 1/4885JAK2 3/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 JAK1 2/4885JAK3 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.