SCHEMBL22544822

SCHEMBL22544822

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 19/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ CDK8 P49336 1/20 0.53
▸ CDK7 P50613 1/20 0.53
▸ CDK9 P50750 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ FLT4 P35916 1/20 0.46

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
SCHEMBL22546075 0.93 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL29754173 0.93 IGF1R (0.46) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL22544592 0.90 CDK4 (0.49) CDK2
SCHEMBL29754277 0.90 CDK4 (0.49) CDK2
SCHEMBL22544564 0.90 CDK4 (0.54) CDK2FLT4
SCHEMBL29754222 0.90 CDK4 (0.54) CDK2FLT4
SCHEMBL22544658 0.90 IGF1R (0.44) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL28712152 0.88 MYLK4 (0.45) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27169607 0.87 IKBKE (0.51) IGF1RCDK1CDK2CDK8CDK7
SCHEMBL27275338 0.86 IGF1R (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702683-A Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-09-27 — — CN disclosed
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-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
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 — — CN 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
WO-2020207414-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-10-15 — — WO disclosed
WO-2020206588-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2020-10-15 — — WO 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 IGF1R 3027/4885CDK1 143/4885CDK2 125/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 IGF1R 2980/4885CDK1 148/4885CDK2 128/4885

“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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