SCHEMBL14670533

SCHEMBL14670533

CNC(=O)Cn1cc(Nc2ncc(C)c(N[C@H](CO)c3ccccc3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 7/20 0.47
▸ IRAK4 Q9NWZ3 7/20 0.47
▸ JAK3 P52333 9/20 0.47
▸ JAK1 P23458 6/20 0.47
▸ JAK2 O60674 6/20 0.47
▸ MAP4K3 Q8IVH8 6/20 0.46
▸ TYK2 P29597 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ AURKA O14965 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 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
SCHEMBL15817750 1.00 MAP4K1 (0.47) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL14670611 0.90 MAP4K1 (0.47) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL14663738 0.90 JAK3 (0.55) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL14663736 0.90 JAK3 (0.55) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL15816823 0.90 MAP4K1 (0.47) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL14663779 0.89 JAK3 (0.47) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL14663777 0.89 JAK3 (0.47) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL14670600 0.87 JAK3 (0.51) MAP4K1IRAK4JAK3JAK1JAK2
SCHEMBL14663750 0.83 JAK3 (0.54) JAK3JAK1JAK2TYK2KDR
SCHEMBL14663747 0.83 JAK3 (0.54) JAK3JAK1JAK2TYK2KDR

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
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US claimed
CN-103781780-A Heterocyclyl pyrimidine analogues as JAK inhibitors CELLZOME LTD 2014-05-07 — — CN claimed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
CN-103781780-A Heterocyclyl pyrimidine analogues as JAK inhibitors CELLZOME LTD 2014-05-07 — — CN disclosed
WO-2013014162-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-01-31 — — 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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 MAP4K1 529/4885IRAK4 67/4885JAK3 2/4885

“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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