SCHEMBL2680705

SCHEMBL2680705

Cn1cc(-c2cnc(N)c(-c3nc4ccc(Cc5ccccc5)cc4[nH]3)c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.53
CDK2 P24941 2/20 0.53
MKNK1 Q9BUB5 2/20 0.53
MKNK2 Q9HBH9 2/20 0.53
PDPK1 O15530 2/20 0.53
MET P08581 2/20 0.48
EPHX2 P34913 1/20 0.47
LRRK2 Q5S007 3/20 0.46
NT5E P21589 1/20 0.44
NPBWR1 P48145 1/20 0.44
MAP4K4 O95819 1/20 0.43
MERTK Q12866 3/20 0.42
PRMT5 O14744 1/20 0.41
MAPK1 P28482 2/20 0.41
AXL P30530 2/20 0.41
AURKB Q96GD4 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
SCHEMBL2680723 0.87 MET (0.48) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680942 0.85 CDK1 (0.70) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680274 0.84 MET (0.56) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2680389 0.83 CDK1 (0.52) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL4258499 0.81 MAP4K4 (0.53) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL4253781 0.81 CDK1 (0.52) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2681943 0.81 MAP4K4 (0.62) CDK1CDK2MKNK1MKNK2PDPK1
Trifluoroacetic Acid SCHEMBL1045539 0.81 MET (0.51) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL16390736 0.81 MET (0.47) CDK1CDK2MKNK1MKNK2PDPK1
SCHEMBL2681696 0.81 SLC2A1 (0.59) CDK1CDK2MKNK1MKNK2PDPK1

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 CDK1 15/4885CDK2 10/4885MKNK1 782/4885

“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.