SCHEMBL29754209

SCHEMBL29754209

Cc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(OCC2(C#N)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.45
▸ TBK1 Q9UHD2 6/20 0.44
▸ IKBKE Q14164 5/20 0.44
▸ MYLK4 Q86YV6 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ EIF2AK4 Q9P2K8 1/20 0.43
▸ JAK3 P52333 7/20 0.42
▸ JAK2 O60674 5/20 0.42
▸ JAK1 P23458 5/20 0.42
▸ TYK2 P29597 3/20 0.42
▸ STAT3 P40763 1/20 0.40
▸ BTK Q06187 2/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CDK6 Q00534 2/20 0.40
▸ MAP3K7 O43318 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ PIK3CD O00329 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
SCHEMBL22544570 1.00 LRRK2 (0.45) LRRK2TBK1IKBKEMYLK4STK17A
SCHEMBL29754214 0.95 TBK1 (0.43) LRRK2TBK1IKBKEMYLK4STK17A
SCHEMBL22529468 0.95 TBK1 (0.43) LRRK2TBK1IKBKEMYLK4STK17A
SCHEMBL22544813 0.93 MYLK4 (0.50) LRRK2TBK1IKBKEMYLK4STK17A
SCHEMBL22544665 0.91 LRRK2 (0.45) LRRK2TBK1IKBKEMYLK4STK17A
SCHEMBL29754267 0.91 IRAK4 (0.47) TBK1IKBKEMYLK4STK17AJAK3
SCHEMBL29754285 0.91 LRRK2 (0.45) LRRK2TBK1IKBKEMYLK4STK17A
SCHEMBL22544655 0.91 IRAK4 (0.47) TBK1IKBKEMYLK4STK17AJAK3
SCHEMBL27275432 0.89 MYLK4 (0.42) TBK1IKBKEMYLK4STK17AJAK3
SCHEMBL29754122 0.89 IGF1R (0.46) CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 1384/4885TBK1 70/4885IKBKE 317/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885TBK1 65/4885IKBKE 320/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885TBK1 65/4885IKBKE 320/4885

“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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