SCHEMBL29754285

SCHEMBL29754285

N#CC1(COc2ccc(-c3nc(Nc4cnn(C5CCOCC5)c4)ncc3Cl)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.45
▸ MAP3K7 O43318 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ TBK1 Q9UHD2 7/20 0.44
▸ IKBKE Q14164 6/20 0.44
▸ JAK3 P52333 6/20 0.44
▸ JAK2 O60674 4/20 0.44
▸ JAK1 P23458 4/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ MYLK4 Q86YV6 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ EIF2AK4 Q9P2K8 1/20 0.41
▸ BTK Q06187 1/20 0.40
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ FGFR2 P21802 1/20 0.39
▸ FGFR3 P22607 1/20 0.39

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
SCHEMBL22544665 1.00 LRRK2 (0.45) LRRK2MAP3K7MAPK1MAP2K1TBK1
SCHEMBL29754170 0.95 TBK1 (0.43) LRRK2MAP3K7MAPK1MAP2K1TBK1
SCHEMBL22545995 0.95 TBK1 (0.43) LRRK2MAP3K7MAPK1MAP2K1TBK1
SCHEMBL22544813 0.93 MYLK4 (0.50) LRRK2TBK1IKBKEJAK3JAK2
SCHEMBL22544570 0.91 LRRK2 (0.45) LRRK2MAP3K7MAPK1MAP2K1TBK1
SCHEMBL29754209 0.91 LRRK2 (0.45) LRRK2MAP3K7MAPK1MAP2K1TBK1
SCHEMBL29754181 0.88 MYLK4 (0.46) LRRK2TBK1IKBKEJAK3JAK2
SCHEMBL22544535 0.88 MYLK4 (0.46) LRRK2TBK1IKBKEJAK3JAK2
SCHEMBL22529468 0.86 TBK1 (0.43) LRRK2TBK1IKBKEJAK3JAK2
SCHEMBL29754214 0.86 TBK1 (0.43) LRRK2TBK1IKBKEJAK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 LRRK2 1384/4885MAP3K7 21/4885MAPK1 395/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885MAP3K7 20/4885MAPK1 418/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885MAP3K7 20/4885MAPK1 418/4885

“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.

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