SCHEMBL22544820

SCHEMBL22544820

Cc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(OCC2(C#N)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 1/20 0.45
▸ JAK3 P52333 11/20 0.43
▸ JAK2 O60674 10/20 0.43
▸ JAK1 P23458 9/20 0.43
▸ TYK2 P29597 5/20 0.43
▸ LRRK2 Q5S007 2/20 0.43
▸ STAT3 P40763 3/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ IKBKE Q14164 2/20 0.41
▸ TBK1 Q9UHD2 2/20 0.41
▸ MAP3K7 O43318 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40

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
SCHEMBL29754208 1.00 EIF2AK4 (0.45) EIF2AK4JAK3JAK2JAK1TYK2
SCHEMBL22544463 0.94 JAK2 (0.43) EIF2AK4JAK3JAK2JAK1TYK2
SCHEMBL22544657 0.89 EIF2AK4 (0.44) EIF2AK4JAK3JAK2JAK1TYK2
SCHEMBL22544570 0.87 LRRK2 (0.45) EIF2AK4JAK3JAK2JAK1TYK2
SCHEMBL29754209 0.87 LRRK2 (0.45) EIF2AK4JAK3JAK2JAK1TYK2
SCHEMBL22544652 0.82 JAK2 (0.44) EIF2AK4JAK3JAK2JAK1TYK2
SCHEMBL22097656 0.81 JAK3 (0.56) JAK3JAK2JAK1TYK2MAP3K7
SCHEMBL22529468 0.81 TBK1 (0.43) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL29754214 0.81 TBK1 (0.43) JAK3JAK2JAK1TYK2LRRK2
SCHEMBL27275032 0.81 TBK1 (0.44) 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 6 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-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-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
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 EIF2AK4 774/4885JAK3 1/4885JAK2 3/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 EIF2AK4 780/4885JAK3 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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