Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL3583671

COc1cccc2c1C2.N

nearest known ligand 0.61

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.61
DRD3 P35462 4/20 0.61
DRD1 P21728 1/20 0.61
DRD5 P21918 1/20 0.61
HTR2A P28223 2/20 0.51
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
DRD4 P21917 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HTR2C P28335 1/20 0.44
HTR1A P08908 2/20 0.44

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
SCHEMBL6907003 0.98 DRD2 (0.62) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL28263467 0.91 DRD2 (0.67) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL6901761 0.91 DRD2 (0.56) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL2641069 0.84 DRD2 (0.50) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL18489460 0.83 DRD2 (0.50) DRD2DRD3DRD1DRD5HTR2A
Ammonia Solution, Strong SCHEMBL7667257 0.80 DRD2 (0.56) DRD2DRD3DRD1DRD5CHRM2
SCHEMBL8854649 0.79 DRD2 (0.54) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL7061674 0.79 DRD2 (0.46) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL6901862 0.79 DRD1 (0.58) DRD2DRD3DRD1DRD5HTR2A
SCHEMBL14116130 0.78 DRD2 (0.53) DRD2DRD3DRD1DRD5HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2010-02-25 US disclosed
CN-101137652-A Pyrimidine compounds having tie2 (tek) inhibitory activity ASTRAZENECA AB (SE) 2008-03-05 CN disclosed
EP-1863805-A1 PYRIMIDINE COMPOUNDS HAVING TIE2 (TEK) INHIBITORY ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006082373-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-08-10 WO disclosed
US-6656932-B2 Treating osteoarthritis, rheumatoid arthritis, cancer, inflammation, and heart failure WARNER-LAMBERT COMPANY 2003-12-02 US disclosed
US-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY 2002-10-24 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-20020156069-A1 Benzo thiadiazine matrix metalloproteinase inhibitors MMP15, MMP13, MMP3 DRD2 2848/4885DRD3 1626/4885DRD1 2119/4885
US-20100048543-A1 PYRIMIDINE COMPOUNDS HAVING TIES (TEK) INHIBITORY ACTIVITY TEK, TYMP, TIE1 DRD2 3225/4885DRD3 3648/4885DRD1 3761/4885

“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.