SCHEMBL22544640

SCHEMBL22544640

Cc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.55
▸ JAK2 O60674 12/20 0.55
▸ JAK1 P23458 11/20 0.55
▸ TYK2 P29597 4/20 0.55
▸ LRRK2 Q5S007 2/20 0.53
▸ EIF2AK4 Q9P2K8 1/20 0.48
▸ MAP3K7 O43318 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAP2K1 Q02750 1/20 0.46
▸ MYLK4 Q86YV6 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45

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
SCHEMBL22544617 0.93 MAP4K1 (0.49) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL22097675 0.89 JAK3 (0.56) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL31557671 0.89 JAK3 (0.56) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL29754339 0.88 FLT4 (0.51) JAK3
SCHEMBL22545899 0.88 FLT4 (0.51) JAK3
SCHEMBL22544566 0.87 JAK3 (0.51) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL27059237 0.87 JAK3 (0.55) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL22544819 0.86 LRRK2 (0.52) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL29754172 0.86 LRRK2 (0.52) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL30891573 0.84 JAK1 (0.56) JAK3JAK2JAK1TYK2LRRK2

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
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
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
WO-2020207414-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-10-15 — — WO 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 (2 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 JAK3 1/4885JAK2 3/4885JAK1 2/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 JAK3 1/4885JAK2 3/4885JAK1 2/4885

“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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