SCHEMBL2418293

SCHEMBL2418293

N#Cc1cc(F)c2[nH]cnc2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
EGLN2 Q96KS0 4/20 0.33
CDC7 O00311 2/20 0.32
DBF4 Q9UBU7 2/20 0.32
HSP90AB1 P08238 1/20 0.32
CHEK1 O14757 1/20 0.31
PARP1 P09874 2/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL2416156 0.79 HSP90AB1 (0.35) EGLN2CDC7DBF4HSP90AB1CHEK1
SCHEMBL25242609 0.79 MEN1 (0.42) EGLN2CDC7DBF4HSP90AB1CHEK1
SCHEMBL31135929 0.79 MEN1 (0.42) EGLN2CDC7DBF4HSP90AB1CHEK1
SCHEMBL788965 0.75 MAPT (0.41) MAPTPARP1
SCHEMBL25245951 0.75 CDC7 (0.33) CDC7DBF4HSP90AB1
SCHEMBL23227827 0.72 MAPT (0.47) MAPTPARP1RIPK1
SCHEMBL2411729 0.72 MAPT (0.39) MAPTCHEK1PARP1
SCHEMBL539264 0.72 PARP1 (0.41) MAPTCHEK1PARP1
SCHEMBL30477591 0.71 CTSS (0.38) MAPTEGLN2CHEK1
SCHEMBL21263286 0.69 PARP1 (0.34) MAPTEGLN2PARP1

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
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 US disclosed
EP-2376484-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS Merck Serono S.A. (CH) 2011-10-19 EP disclosed
US-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2011-09-22 US disclosed
WO-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 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-20110230518-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS PMP22, AQP4, NDUFS3 MAPT 877/4885EGLN2 663/4885CDC7 2591/4885

“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.