SCHEMBL2681983

SCHEMBL2681983

CN(C)S(=O)(=O)c1ccc2nc(-c3cc(-c4cnn(C)c4)cnc3N)[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 3/20 0.47
▸ CDK2 P24941 3/20 0.47
▸ CDK1 P06493 2/20 0.47
▸ MKNK1 Q9BUB5 2/20 0.47
▸ MKNK2 Q9HBH9 2/20 0.47
▸ PDPK1 O15530 1/20 0.45
▸ CCNA2 P20248 1/20 0.44
▸ TTK P33981 1/20 0.44
▸ MET P08581 3/20 0.43
▸ NPBWR1 P48145 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ SRPK2 P78362 1/20 0.42
▸ SRPK1 Q96SB4 1/20 0.42
▸ MST1R Q04912 1/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CG P48736 2/20 0.42
▸ MTOR P42345 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41

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
SCHEMBL4090636 0.93 LRRK2 (0.49) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL4253197 0.84 CDK1 (0.49) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL2680389 0.82 CDK1 (0.52) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL2682384 0.82 LRRK2 (0.49) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL2680839 0.81 CDK2 (0.62) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL2681943 0.80 MAP4K4 (0.62) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL2680942 0.80 CDK1 (0.70) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL2681696 0.80 SLC2A1 (0.59) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL16390740 0.79 SLC2A1 (0.51) LRRK2CDK2CDK1MKNK1MKNK2
SCHEMBL2680723 0.78 MET (0.48) LRRK2CDK2CDK1MKNK1MKNK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 — — US claimed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 — — US claimed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 — — EP disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 — — US disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 — — 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 (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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 LRRK2 582/4885CDK2 10/4885CDK1 15/4885

“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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