SCHEMBL27169600

SCHEMBL27169600

Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.56
▸ IKBKE Q14164 1/20 0.50
▸ TBK1 Q9UHD2 1/20 0.50
▸ MYLK4 Q86YV6 1/20 0.45
▸ STK17A Q9UEE5 1/20 0.45
▸ MAP4K1 Q92918 2/20 0.44
▸ CDK4 P11802 3/20 0.43
▸ CDK6 Q00534 3/20 0.43
▸ PIK3CD O00329 2/20 0.43
▸ CSF1R P07333 2/20 0.43
▸ TLR9 Q9NR96 1/20 0.43
▸ TLR8 Q9NR97 1/20 0.43
▸ TLR7 Q9NYK1 1/20 0.43
▸ JAK2 O60674 3/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ AXL P30530 1/20 0.41

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
SCHEMBL27169585 0.94 LRRK2 (0.50) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169601 0.94 LRRK2 (0.59) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169592 0.92 LRRK2 (0.61) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169607 0.91 IKBKE (0.51) LRRK2IKBKETBK1CDK2
SCHEMBL27169598 0.90 LRRK2 (0.48) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169575 0.90 LRRK2 (0.56) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169583 0.88 LRRK2 (0.58) LRRK2IKBKETBK1MAP4K1CDK4
SCHEMBL27169623 0.87 LRRK2 (0.46) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL29754256 0.87 TBK1 (0.47) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL22546070 0.87 TBK1 (0.47) LRRK2IKBKETBK1MYLK4STK17A

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-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-03-14 — — US claimed
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

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 LRRK2 1384/4885IKBKE 317/4885TBK1 70/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885IKBKE 320/4885TBK1 65/4885

“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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