Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3695338

COc1cc(C(C)(C)CN2CCOCC2)ccc1Nc1nc(C2CCOCC2)c2nc[nH]c2n1.N

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.41
TTK P33981 4/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 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
SCHEMBL4765929 0.87 TTK (0.49) LRRK2TTK
Ammonia Solution, Strong SCHEMBL3707460 0.80 TTK (0.42) LRRK2TTKSLCO1B1MAPT
SCHEMBL4976131 0.74 TTK (0.58) LRRK2TTK
SCHEMBL10270515 0.72 LRRK2 (0.55) LRRK2TTK
Ammonia Solution, Strong SCHEMBL3708348 0.71 TTK (0.40) TTK
Ammonia Solution, Strong SCHEMBL3704523 0.70 TTK (0.51) LRRK2TTK
SCHEMBL4768728 0.69 TTK (0.54) LRRK2TTK
SCHEMBL4767266 0.69 TTK (0.49) LRRK2TTK
SCHEMBL4974890 0.69 TTK (0.58) LRRK2TTK
SCHEMBL3704540 0.69 TTK (0.49) LRRK2TTK

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 LRRK2 3245/4885TTK 4589/4885SLCO1B1 1103/4885

“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.