SCHEMBL22544819

SCHEMBL22544819

Cc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.52
▸ JAK3 P52333 11/20 0.51
▸ JAK2 O60674 9/20 0.51
▸ JAK1 P23458 9/20 0.51
▸ TYK2 P29597 4/20 0.51
▸ MAP3K7 O43318 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ MAP2K1 Q02750 1/20 0.47
▸ EIF2AK4 Q9P2K8 1/20 0.47
▸ FGFR2 P21802 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ IGF1R P08069 1/20 0.44
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ MAP4K1 Q92918 1/20 0.43

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
SCHEMBL29754172 1.00 LRRK2 (0.52) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL22545882 0.93 MAP4K1 (0.48) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL22544640 0.86 JAK3 (0.55) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL22097675 0.83 JAK3 (0.56) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL31557671 0.83 JAK3 (0.56) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL27059234 0.82 LRRK2 (0.57) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL27059237 0.81 JAK3 (0.55) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL22544566 0.81 JAK3 (0.51) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL22544656 0.80 JAK3 (0.51) LRRK2JAK3JAK2JAK1TYK2
SCHEMBL22544820 0.79 EIF2AK4 (0.45) LRRK2JAK3JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2020206588-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2020-10-15 — — WO 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-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof JAK3, JAK1, JAK2 LRRK2 1384/4885JAK3 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.

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