SCHEMBL27169575

SCHEMBL27169575

Fc1cc(-c2nc(Nc3cnn(C4CC4)c3)ncc2Cl)ccc1OCC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 8/20 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
▸ JAK2 O60674 6/20 0.44
▸ JAK3 P52333 6/20 0.44
▸ JAK1 P23458 5/20 0.44
▸ CDK4 P11802 2/20 0.42
▸ CDK6 Q00534 2/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TLR9 Q9NR96 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
SCHEMBL27169611 0.94 LRRK2 (0.59) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169592 0.92 LRRK2 (0.61) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169600 0.90 LRRK2 (0.56) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169579 0.86 LRRK2 (0.64) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL29754170 0.84 TBK1 (0.43) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL22545995 0.84 TBK1 (0.43) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169601 0.84 LRRK2 (0.59) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL27169585 0.84 LRRK2 (0.50) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL29754192 0.81 MAP3K7 (0.46) LRRK2IKBKETBK1MYLK4STK17A
SCHEMBL22544475 0.81 MAP3K7 (0.46) 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 1 patent. 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

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-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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