SCHEMBL22529468

SCHEMBL22529468

Cc1cnc(Nc2cnn(C3CC3)c2)nc1-c1ccc(OCC2(C#N)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 4/20 0.43
▸ IKBKE Q14164 3/20 0.43
▸ LRRK2 Q5S007 2/20 0.41
▸ JAK2 O60674 6/20 0.41
▸ TYK2 P29597 4/20 0.41
▸ JAK3 P52333 4/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ STAT3 P40763 2/20 0.41
▸ PIK3CD O00329 3/20 0.40
▸ CDK4 P11802 3/20 0.40
▸ CDK6 Q00534 3/20 0.40
▸ CSF1R P07333 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ MYLK4 Q86YV6 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40

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
SCHEMBL29754214 1.00 TBK1 (0.43) TBK1IKBKELRRK2JAK2TYK2
SCHEMBL22544570 0.95 LRRK2 (0.45) TBK1IKBKELRRK2JAK2TYK2
SCHEMBL29754209 0.95 LRRK2 (0.45) TBK1IKBKELRRK2JAK2TYK2
SCHEMBL29754267 0.95 IRAK4 (0.47) TBK1IKBKEJAK2TYK2JAK3
SCHEMBL22544655 0.95 IRAK4 (0.47) TBK1IKBKEJAK2TYK2JAK3
SCHEMBL22544535 0.93 MYLK4 (0.46) TBK1IKBKELRRK2JAK2TYK2
SCHEMBL29754181 0.93 MYLK4 (0.46) TBK1IKBKELRRK2JAK2TYK2
SCHEMBL27275432 0.93 MYLK4 (0.42) TBK1IKBKEJAK2TYK2JAK3
SCHEMBL29754122 0.92 IGF1R (0.46) IRAK4CDK2
SCHEMBL27275136 0.92 IGF1R (0.46) IRAK4CDK2

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 8 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-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
EP-3953347-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2022-02-16 — — EP disclosed
CN-113993861-A Phenylethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives and compositions and methods thereof 凌科药业(杭州)有限公司 2022-01-28 — — CN 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
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-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

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-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof JAK3, JAK1, JAK2 TBK1 70/4885IKBKE 317/4885LRRK2 1384/4885

“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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