SCHEMBL16844971

SCHEMBL16844971

CC(C)(C)CNc1nccc(C(C)(C)C)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.52
HRH3 Q9Y5N1 12/20 0.52
NUDT1 P36639 1/20 0.47
SYK P43405 1/20 0.46
CHRNA7 P36544 1/20 0.45
PIK3CD O00329 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39

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
SCHEMBL12932877 0.86 HRH4 (0.50) HRH4HRH3NUDT1SYK
SCHEMBL15181300 0.81 SYK (0.44) HRH4HRH3SYK
SCHEMBL14029983 0.80 HRH4 (0.54) HRH4HRH3NUDT1CHRNA7
SCHEMBL15181297 0.79 HRH4 (0.51) HRH4SYK
SCHEMBL9169741 0.79 HRH4 (0.52) HRH4HRH3NUDT1CHRNA7
SCHEMBL11988199 0.78 HRH4 (0.52) HRH4SYK
SCHEMBL84157 0.77 SYK (0.50) SYK
SCHEMBL24650717 0.77 MKNK1 (0.48) SYK
SCHEMBL14004971 0.76 HRH4 (0.50) HRH4HRH3NUDT1CHRNA7PIK3CD
SCHEMBL12933710 0.76 HRH4 (0.50) HRH4HRH3NUDT1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932354-B2 Imidazo-oxadiazole and imidazo-thiadiazole derivatives ARES TRADING S.A. (CH) 2018-04-03 US disclosed
US-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-06-25 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-20150175628-A1 IMIDAZO-OXADIAZOLE AND IMIDAZO-THIADIAZOLE DERIVATIVES APP, BACE1, PSEN1 HRH4 1927/4885HRH3 2402/4885NUDT1 2763/4885

“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.