SCHEMBL29754267

SCHEMBL29754267

Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(OCC2(C#N)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 5/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ IRAK1 P51617 1/20 0.47
▸ NTRK3 Q16288 1/20 0.47
▸ NTRK2 Q16620 1/20 0.47
▸ CDK4 P11802 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ CDK2 P24941 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.46
▸ MAPK6 Q16659 3/20 0.45
▸ FLT4 P35916 1/20 0.44
▸ AXL P30530 4/20 0.43
▸ IKBKE Q14164 1/20 0.42
▸ TBK1 Q9UHD2 1/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 2/20 0.42
▸ MYLK4 Q86YV6 1/20 0.42

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
SCHEMBL22544655 1.00 IRAK4 (0.47) IRAK4PIK3CDNTRK1IRAK1NTRK3
SCHEMBL22529468 0.95 TBK1 (0.43) IRAK4PIK3CDNTRK1IRAK1NTRK3
SCHEMBL29754214 0.95 TBK1 (0.43) IRAK4PIK3CDNTRK1IRAK1NTRK3
SCHEMBL27275432 0.92 MYLK4 (0.42) IRAK4PIK3CDNTRK1IRAK1NTRK3
SCHEMBL27275136 0.92 IGF1R (0.46) IRAK4CDK2
SCHEMBL29754122 0.92 IGF1R (0.46) IRAK4CDK2
SCHEMBL22544570 0.91 LRRK2 (0.45) PIK3CDCDK4CCNA2CDK2CDK6
SCHEMBL29754209 0.91 LRRK2 (0.45) PIK3CDCDK4CCNA2CDK2CDK6
SCHEMBL27277168 0.91 MAP3K14 (0.46) IRAK4PIK3CDNTRK1IRAK1NTRK3
SCHEMBL29754166 0.91 TBK1 (0.41) IRAK4PIK3CDNTRK1IRAK1NTRK3

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 4 patents. 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 claimed
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
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 (3 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 IRAK4 189/4885PIK3CD 344/4885NTRK1 1846/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 IRAK4 191/4885PIK3CD 362/4885NTRK1 1865/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 IRAK4 191/4885PIK3CD 362/4885NTRK1 1865/4885

“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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