SCHEMBL27169607

SCHEMBL27169607

CC(=O)N1CCC(n2cc(Nc3ncc(C)c(-c4ccc(OCC5CC5)c(F)c4)n3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.51
▸ TBK1 Q9UHD2 1/20 0.51
▸ LRRK2 Q5S007 3/20 0.50
▸ IGF1R P08069 16/20 0.49
▸ CDK1 P06493 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ CDK7 P50613 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48

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
SCHEMBL27169598 0.93 LRRK2 (0.48) IKBKETBK1LRRK2IGF1RCDK1
SCHEMBL27169623 0.91 LRRK2 (0.46) IKBKETBK1LRRK2IGF1RCDK1
SCHEMBL27169600 0.91 LRRK2 (0.56) IKBKETBK1LRRK2CDK2
SCHEMBL27169585 0.90 LRRK2 (0.50) IKBKETBK1LRRK2CDK2
SCHEMBL29754145 0.89 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL22544824 0.89 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL29754122 0.87 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27275136 0.87 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27169601 0.87 LRRK2 (0.59) IKBKETBK1LRRK2CDK2
SCHEMBL22544822 0.87 IGF1R (0.53) IGF1RCDK1CDK2CDK8CDK7

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

“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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