SCHEMBL27171237

SCHEMBL27171237

Cc1cnc(Nc2cnn(C3CCOCC3)c2)nc1-c1ccc(C(=O)NC(C)C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.54
▸ JAK2 O60674 12/20 0.54
▸ JAK1 P23458 12/20 0.54
▸ TYK2 P29597 2/20 0.50
▸ TBK1 Q9UHD2 1/20 0.47
▸ DDR2 Q16832 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.44

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
SCHEMBL22097689 1.00 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL22089943 1.00 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL29941682 1.00 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL29942279 1.00 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL28618372 0.94 DDR2 (0.51) JAK3JAK2JAK1DDR2
SCHEMBL22089894 0.94 DDR2 (0.51) JAK3JAK2JAK1DDR2
SCHEMBL29941768 0.94 DDR2 (0.51) JAK3JAK2JAK1DDR2
SCHEMBL22089914 0.92 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL28602200 0.92 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL24853586 0.92 JAK2 (0.49) JAK3JAK2JAK1DDR2

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
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 — — CN claimed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 — — CN disclosed
US-20240083881-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-03-14 — — US disclosed
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 — — CN 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-20240083881-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK1, JAK3, JAK2 JAK3 2/4885JAK2 3/4885JAK1 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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