SCHEMBL12412582

SCHEMBL12412582

CC(C)(C)c1cnc(N2CCC(N)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.47
▸ CAMK1D Q8IU85 12/20 0.45
▸ ACACB O00763 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ AKT1 P31749 2/20 0.39
▸ DYRK1A Q13627 2/20 0.38

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
SCHEMBL12412568 0.90 PTPN11 (0.40) HRH4CAMK1DACACBHRH3
SCHEMBL21624806 0.84 CAMK1D (0.45) CAMK1DMKNK1MKNK2
SCHEMBL21624807 0.84 CAMK1D (0.45) CAMK1DMKNK1MKNK2
SCHEMBL950844 0.78 GRM2 (0.43) HRH4HRH3MKNK1MKNK2AKT1
SCHEMBL16872992 0.78 MKNK1 (0.43) HRH4MKNK1MKNK2DYRK1A
SCHEMBL16872993 0.78 MKNK1 (0.43) HRH4MKNK1MKNK2DYRK1A
SCHEMBL950845 0.78 GRM2 (0.43) HRH4HRH3MKNK1MKNK2AKT1
SCHEMBL12503204 0.77 HRH4 (0.47) HRH4HRH3MKNK1MKNK2AKT1
Hydrochloric Acid SCHEMBL955771 0.77 GRM2 (0.42) HRH4HRH3MKNK1MKNK2AKT1
SCHEMBL12412537 0.77 ACACB (0.42) ACACBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI HRH4 3053/4885CAMK1D 458/4885ACACB 1323/4885

“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.

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