Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL440390

Cc1nc(C2CC2)no1.N

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.42
PDE10A Q9Y233 2/20 0.40
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
CCR5 P51681 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP7 Q93009 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM3 P20309 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL1421874 0.98
SCHEMBL13783348 0.90 MAP4K4 (0.39) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL15934131 0.89 POLB (0.47) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL13282089 0.89 POLB (0.43) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL21733430 0.88 MAP4K4 (0.41) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL22629067 0.88 MAP4K4 (0.41) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL1516119 0.87 CASP3 (0.50) MAP4K4POLBCASP3SENP7SENP6
SCHEMBL19485443 0.87 CASP3 (0.50) MAP4K4POLBCASP3SENP7SENP6
SCHEMBL24921405 0.85 MAP4K4 (0.37) MAP4K4PDE10APOLBCASP3SENP7
SCHEMBL13246579 0.84 USP7 (0.50) MAP4K4PDE10APOLBCASP3SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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 (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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR MAP4K4 4374/4885PDE10A 1096/4885POLB 3742/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR MAP4K4 4374/4885PDE10A 1096/4885POLB 3742/4885

“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.