Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL264615

N.c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.83
BACE1 P56817 1/20 0.69
PSMB1 P20618 1/20 0.69
PSMB5 P28074 1/20 0.69
HRH3 Q9Y5N1 1/20 0.68
KDM4E B2RXH2 1/20 0.68
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67

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
SCHEMBL255201 0.98 LTA4H (0.86) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL5870409 0.96 LTA4H (0.83) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL3951411 0.96 LTA4H (0.83) LTA4HBACE1PSMB1PSMB5HRH3
Bromide SCHEMBL4827747 0.94 LTA4H (0.81) LTA4HBACE1PSMB1PSMB5HRH3
Hydrochloric Acid SCHEMBL8475600 0.94 LTA4H (0.81) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL14500223 0.92 LTA4H (0.77) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL7141714 0.91 LTA4H (1.00) LTA4HPSMB1PSMB5HRH3
SCHEMBL492205 0.89 HRH3 (0.84) LTA4HHRH3KDM4EALDH1A1SMN1; SMN2
Anisole SCHEMBL28200949 0.88 LTA4H (0.71) LTA4HBACE1PSMB1PSMB5HRH3
SCHEMBL1899201 0.87 LTA4H (1.00) LTA4HBACE1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951684-B1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN INC (US) 2016-07-13 EP disclosed
US-8604042-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2013-12-10 US disclosed
US-8138199-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-20 US disclosed
US-8133900-B2 Use of bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2012-03-13 US disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
US-7825246-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2010-11-02 US disclosed
US-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases TARGEGEN, INC. (US) 2009-11-19 US disclosed
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases IMPACT BIOMEDICINES, INC. 2009-11-05 US disclosed
US-7528143-B2 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2009-05-05 US disclosed
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-11-08 US disclosed
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2007-08-16 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 (5 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-20090286789-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, LTK LTA4H 626/4885BACE1 4487/4885PSMB1 3626/4885
US-20070191405-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885PSMB1 4593/4885
US-20070259904-A1 Bi-aryl meta-pyrimidine inhibitors of kinases JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885PSMB1 4593/4885
US-20090275582-A1 Bi-Aryl Meta-Pyrimidine Inhibitors of Kinases JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885PSMB1 4593/4885
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 LTA4H 3846/4885BACE1 4739/4885PSMB1 4593/4885

“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.