SCHEMBL1044977

SCHEMBL1044977

COc1ccc2nc(-c3cc(-c4cnn(CC(=O)O)c4)cnc3N)[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.60
CDK1 P06493 2/20 0.45
CDK2 P24941 2/20 0.45
MKNK1 Q9BUB5 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
PDPK1 O15530 1/20 0.45
NPC1 O15118 3/20 0.44
TP53 P04637 3/20 0.44
HPGD P15428 3/20 0.44
ATR Q13535 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
PKM P14618 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2681483 0.88 SLC2A1 (0.56) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL2681532 0.86 SLC2A1 (0.55) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL2681553 0.84 SLC2A1 (0.53) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL994127 0.84 SLC2A1 (0.53) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL2681696 0.83 SLC2A1 (0.59) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL2682198 0.83 SLC2A1 (0.51) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL2681826 0.82 SLC2A1 (0.61) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL2680823 0.81 SLC2A1 (0.50) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL16390914 0.81 SLC2A1 (0.57) SLC2A1CDK1CDK2MKNK1MKNK2
SCHEMBL2680177 0.81 SLC2A1 (0.61) SLC2A1CDK1CDK2MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed
EP-2454253-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES Merck Patent GmbH (DE) 2012-05-23 EP disclosed
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 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
US-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-10 US disclosed
WO-2011006567-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2011-01-20 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-20120115861-A1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES PDK1, PDK2, PDK4 SLC2A1 890/4885CDK1 15/4885CDK2 10/4885

“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.