SCHEMBL27169585

SCHEMBL27169585

Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ CDK6 Q00534 1/20 0.50
▸ MYLK4 Q86YV6 1/20 0.47
▸ STK17A Q9UEE5 1/20 0.47
▸ IRAK4 Q9NWZ3 4/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ IRAK1 P51617 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ AXL P30530 4/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ IKBKE Q14164 1/20 0.45
▸ TBK1 Q9UHD2 1/20 0.45
▸ MAPK6 Q16659 2/20 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
SCHEMBL27169600 0.94 LRRK2 (0.56) LRRK2CDK4CCNA2CDK2CDK6
SCHEMBL27169601 0.90 LRRK2 (0.59) LRRK2CDK4CCNA2CDK2CDK6
SCHEMBL27169607 0.90 IKBKE (0.51) LRRK2CDK2IKBKETBK1
SCHEMBL27169598 0.89 LRRK2 (0.48) LRRK2CDK2MYLK4STK17AJAK2
SCHEMBL29754131 0.88 CDK4 (0.47) CDK4CCNA2CDK2CDK6MYLK4
SCHEMBL22544565 0.88 CDK4 (0.47) CDK4CCNA2CDK2CDK6MYLK4
SCHEMBL27169623 0.87 LRRK2 (0.46) LRRK2CDK2MYLK4STK17AIRAK4
SCHEMBL27169592 0.86 LRRK2 (0.61) LRRK2CDK4CCNA2CDK2CDK6
SCHEMBL22544655 0.86 IRAK4 (0.47) CDK4CCNA2CDK2CDK6MYLK4
SCHEMBL29754267 0.86 IRAK4 (0.47) CDK4CCNA2CDK2CDK6MYLK4

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 2 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-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 1384/4885CDK4 77/4885CCNA2 2071/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885CDK4 79/4885CCNA2 2090/4885

“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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