Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL16338366

CN(C)CC1CCCCC1.N

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
ADRA1B P35368 1/20 0.42
ALOX5 P09917 3/20 0.41
CYP1A2 P05177 1/20 0.39
DAO P14920 1/20 0.38
CHRM5 P08912 2/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL14519375 0.97 SIGMAR1 (0.48) SIGMAR1ADRA1BALOX5CYP1A2DAO
SCHEMBL3819958 0.97 SIGMAR1 (0.48) SIGMAR1ADRA1BALOX5CYP1A2DAO
SCHEMBL1639746 0.97 SIGMAR1 (0.48) SIGMAR1ADRA1BALOX5CYP1A2DAO
SCHEMBL14519376 0.97 SIGMAR1 (0.48) SIGMAR1ADRA1BALOX5CYP1A2DAO
SCHEMBL4713746 0.97 SIGMAR1 (0.48) SIGMAR1ADRA1BALOX5CYP1A2DAO
Fluoride SCHEMBL11231130 0.94 SIGMAR1 (0.46) SIGMAR1ADRA1BALOX5CYP1A2DAO
Hydrochloric Acid SCHEMBL2869749 0.94 SIGMAR1 (0.46) SIGMAR1ADRA1BALOX5CYP1A2DAO
Water SCHEMBL29083027 0.94 SIGMAR1 (0.46) SIGMAR1ADRA1BALOX5CYP1A2DAO
SCHEMBL895491 0.94
SCHEMBL2076710 0.88

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-2753329-B1 1,5-NAPHTHYRIDINE DERIVATIVES AS MELK INHIBITORS ONCOTHERAPY SCIENCE INC (JP) 2017-08-09 EP disclosed
US-9345709-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-05-24 US disclosed
US-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-11-19 US disclosed
US-9067937-B2 1,5-naphthyridine derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-06-30 US disclosed
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2015-01-01 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 (2 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-20150328225-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 SIGMAR1 4420/4885ADRA1B 3819/4885ALOX5 4170/4885
US-20150005302-A1 1,5-NAPHTHYRIDINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME MELK, NEK1, NEK5 SIGMAR1 4420/4885ADRA1B 3819/4885ALOX5 4170/4885

“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.