SCHEMBL992459

SCHEMBL992459

Nc1ncc(-c2ccsc2)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.53
CHEK2 O96017 9/20 0.52
CHEK1 O14757 3/20 0.52
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
CYP2A6 P11509 2/20 0.48
EPHX2 P34913 1/20 0.47
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.45

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
SCHEMBL29954696 0.79 ERN1 (0.51) ERN1CHEK2IKBKETBK1PDGFRB
SCHEMBL14276837 0.77 MAP4K4 (0.49) CHEK2
SCHEMBL29955261 0.77 MAP4K4 (0.49) CHEK2
SCHEMBL4089548 0.76 ERN1 (0.66) ERN1CHEK2CHEK1CYP2A6
SCHEMBL18615838 0.76 MAP4K4 (0.51) CHEK2
SCHEMBL17067720 0.76 PDGFRB (0.58) CHEK2CHEK1IKBKETBK1CYP2A6
SCHEMBL17027779 0.76 PDGFRB (0.58) CHEK2CHEK1IKBKETBK1CYP2A6
SCHEMBL2561425 0.74 MAP4K4 (0.51) ERN1CHEK2PDGFRBPDGFRA
SCHEMBL4621645 0.72 CHEK2 (0.67) CHEK2CHEK1IKBKETBK1CYP2A6
SCHEMBL2556015 0.72 CHEK2 (0.52) CHEK2PDGFRBPDGFRA

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 11 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
CN-102471317-B Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH 2014-02-26 CN 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
CN-102471317-A Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH 2012-05-23 CN 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
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 ERN1 1576/4885CHEK2 426/4885CHEK1 817/4885

“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.