SCHEMBL27169598

SCHEMBL27169598

Cc1cnc(Nc2cnn(C3CCN(C(=O)C4CC4)CC3)c2)nc1-c1ccc(OCC2CC2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.48
▸ MYLK4 Q86YV6 1/20 0.44
▸ STK17A Q9UEE5 1/20 0.44
▸ IKBKE Q14164 2/20 0.44
▸ TBK1 Q9UHD2 2/20 0.44
▸ IGF1R P08069 9/20 0.43
▸ CDK1 P06493 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ JAK3 P52333 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
SCHEMBL27169607 0.93 IKBKE (0.51) LRRK2IKBKETBK1IGF1RCDK1
SCHEMBL27169623 0.90 LRRK2 (0.46) LRRK2MYLK4STK17AIKBKETBK1
SCHEMBL27169600 0.90 LRRK2 (0.56) LRRK2MYLK4STK17AIKBKETBK1
SCHEMBL27169585 0.89 LRRK2 (0.50) LRRK2MYLK4STK17AIKBKETBK1
SCHEMBL29754166 0.87 TBK1 (0.41) MYLK4STK17ATBK1IGF1RCDK1
SCHEMBL27275089 0.87 TBK1 (0.41) MYLK4STK17ATBK1IGF1RCDK1
SCHEMBL29754173 0.87 IGF1R (0.46) MYLK4STK17AIGF1RCDK1CDK2
SCHEMBL22546075 0.87 IGF1R (0.46) MYLK4STK17AIGF1RCDK1CDK2
SCHEMBL27169601 0.86 LRRK2 (0.59) LRRK2MYLK4STK17AIKBKETBK1
SCHEMBL27169592 0.82 LRRK2 (0.61) LRRK2MYLK4STK17AIKBKETBK1

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 1384/4885MYLK4 1765/4885STK17A 116/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 LRRK2 1356/4885MYLK4 1808/4885STK17A 119/4885

“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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