SCHEMBL29754196

SCHEMBL29754196

Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(OCC(C)(C)C#N)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 14/20 0.43
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ BTK Q06187 1/20 0.39
▸ MYLK4 Q86YV6 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ TYK2 P29597 1/20 0.38

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
SCHEMBL27275335 1.00 IGF1R (0.43) IGF1RJAK2JAK1JAK3BTK
SCHEMBL28703864 0.92 JAK1 (0.39) IGF1RJAK2JAK1BTKTBK1
SCHEMBL22544824 0.90 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL29754145 0.90 IGF1R (0.48) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL30891576 0.89 JAK3 (0.36) IGF1RJAK2JAK1JAK3BTK
SCHEMBL22546070 0.87 TBK1 (0.47) JAK2JAK1JAK3MYLK4STK17A
SCHEMBL29754256 0.87 TBK1 (0.47) JAK2JAK1JAK3MYLK4STK17A
SCHEMBL27275338 0.86 IGF1R (0.46) IGF1RJAK2JAK1JAK3BTK
SCHEMBL29754131 0.86 CDK4 (0.47) IGF1RJAK2JAK1JAK3MYLK4
SCHEMBL22544565 0.86 CDK4 (0.47) IGF1RJAK2JAK1JAK3MYLK4

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-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 (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-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 IGF1R 2980/4885JAK2 3/4885JAK1 2/4885

“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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