SCHEMBL2680920

SCHEMBL2680920

Nc1ncc(I)cc1-c1nc2cc(CC(=O)NCc3ccc(F)c(F)c3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
MET P08581 1/20 0.37
CACNA1H O95180 2/20 0.35
IDO1 P14902 1/20 0.35
P2RX7 Q99572 1/20 0.35
PTGES O14684 4/20 0.35
PDPK1 O15530 1/20 0.35
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
QPCT Q16769 1/20 0.35
MAPK1 P28482 1/20 0.34
F7 P08709 1/20 0.34

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
SCHEMBL991709 0.83 MET (0.59) METMAPK1
SCHEMBL2681074 0.81 CDK1 (0.45) PDPK1CDK1CDK2MKNK1MKNK2
SCHEMBL4090329 0.76 PRMT5 (0.40) ATRPDPK1CDK1CDK2MKNK1
SCHEMBL4101039 0.69 MAPK1 (0.46) METPDPK1CDK1CDK2MKNK1
SCHEMBL994127 0.68 SLC2A1 (0.53) ATRMETCDK1CDK2MKNK1
SCHEMBL4098969 0.67 CDK1 (0.69) ATRPDPK1CDK1CDK2MKNK1
SCHEMBL4100016 0.67 MET (0.54) METPDPK1CDK1CDK2MKNK1
SCHEMBL2682334 0.66 SLC2A1 (0.49) ATRPDPK1CDK1CDK2MKNK1
SCHEMBL24439686 0.64 KDM4E (0.56) P2RX7
SCHEMBL29605748 0.64 KDM4E (0.56) P2RX7

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
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 EP disclosed
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-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 ATR 1338/4885MET 3052/4885CACNA1H 2428/4885

“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.