SCHEMBL29754152

SCHEMBL29754152

Cc1cnc(Nc2cnn(C3CCN(C)CC3)c2)nc1-c1ccc(NCC2(C#N)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 1/20 0.48
▸ FLT4 P35916 2/20 0.48
▸ JAK3 P52333 6/20 0.45
▸ JAK2 O60674 6/20 0.45
▸ JAK1 P23458 5/20 0.45
▸ TYK2 P29597 5/20 0.45
▸ STAT3 P40763 4/20 0.45
▸ AXL P30530 2/20 0.45
▸ MAPK6 Q16659 3/20 0.45
▸ IRAK4 Q9NWZ3 4/20 0.43
▸ KDR P35968 2/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ NTRK2 Q16620 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
SCHEMBL22545904 1.00 MAP3K14 (0.48) MAP3K14FLT4JAK3JAK2JAK1
SCHEMBL27169581 0.94 JAK2 (0.45) MAP3K14FLT4JAK3JAK2JAK1
SCHEMBL29754159 0.94 JAK2 (0.45) MAP3K14FLT4JAK3JAK2JAK1
SCHEMBL27169578 0.85 FLT4 (0.48) MAP3K14FLT4JAK3JAK2JAK1
SCHEMBL27275359 0.84 IGF1R (0.44) FLT4JAK3JAK2JAK1CDK2
SCHEMBL29754267 0.83 IRAK4 (0.47) MAP3K14FLT4JAK3JAK2JAK1
SCHEMBL27277168 0.83 MAP3K14 (0.46) MAP3K14FLT4JAK3JAK2JAK1
SCHEMBL22544655 0.83 IRAK4 (0.47) MAP3K14FLT4JAK3JAK2JAK1
SCHEMBL22097943 0.82 JAK3 (0.52) FLT4JAK3JAK2JAK1TYK2
SCHEMBL22545899 0.81 FLT4 (0.51) MAP3K14FLT4JAK3AXLMAPK6

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 MAP3K14 36/4885FLT4 711/4885JAK3 1/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 MAP3K14 39/4885FLT4 727/4885JAK3 1/4885
US-20240083882-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 MAP3K14 39/4885FLT4 727/4885JAK3 1/4885

“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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