SCHEMBL3021830

SCHEMBL3021830

c1cncc(C(c2cnc[nH]2)c2cccc3cccnc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.43
ADRA2B P18089 9/20 0.43
ADRA2C P18825 9/20 0.43
ADRA1A P35348 7/20 0.43
ADRA1B P35368 6/20 0.43
ADRA1D P25100 5/20 0.43
SLC6A2 P23975 2/20 0.40
CFTR P13569 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GOPC Q9HD26 1/20 0.40
GRK6 P43250 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
TP53 P04637 2/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL701285 0.91 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13247008 0.89 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10000103 0.85 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13247003 0.85 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13247043 0.85 CFTR (0.43) SLC6A2CFTRSLC6A4SLC6A3GOPC
SCHEMBL13267920 0.84 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL3017476 0.83 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13247013 0.83 BRAF (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13247002 0.82 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13247040 0.81 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162450-B1 ((BICYLICHETEROARYL) IMIDAZOLYL) METHYLHETEROARYL COMPOUNDS AS ADRENERGIC RECEPTOR AGONISTS ALLERGAN INC (US) 2015-02-25 EP disclosed
CN-101711242-B ((bicyclic heteroaryl) imidazolyl) methyl heteroaryl compounds as adrenergic receptor agonists ALLERGAN INC 2013-09-25 CN disclosed
US-8383646-B2 Therapeutic ((bicylicheteroaryl)imidazolyl) methylheteroaryl compounds ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-8383646-B2 Therapeutic ((bicylicheteroaryl)imidazolyl) methylheteroaryl compounds ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-8383646-B2 Therapeutic ((bicylicheteroaryl)imidazolyl) methylheteroaryl compounds ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20100190823-A1 Therapeutic ((Bicylicheteroaryl)Imidazolyl) Methylheteroaryl Compounds ALLEGERGAN INC. (US) 2010-07-29 US disclosed
US-20100190823-A1 Therapeutic ((Bicylicheteroaryl)Imidazolyl) Methylheteroaryl Compounds ALLEGERGAN INC. (US) 2010-07-29 US disclosed
US-20100190823-A1 Therapeutic ((Bicylicheteroaryl)Imidazolyl) Methylheteroaryl Compounds ALLEGERGAN INC. (US) 2010-07-29 US disclosed
CN-101711242-A ((bicyclic heteroaryl) imidazolyl) methyl heteroaryl compounds as adrenergic receptor agonists ALLERGAN INC 2010-05-19 CN disclosed
EP-2162450-A1 ((BICYLICHETEROARYL) IMIDAZOLYL) METHYLHETEROARYL COMPOUNDS AS ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2010-03-17 EP disclosed
WO-2008147786-A1 ((BICYLICHETEROARYL) IMIDAZOLYL) METHYLHETEROARYL COMPOUNDS AS ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2008-12-04 WO disclosed
WO-2008147786-A1 ((BICYLICHETEROARYL) IMIDAZOLYL) METHYLHETEROARYL COMPOUNDS AS ADRENERGIC RECEPTOR AGONISTS ALLERGAN, INC. (US) 2008-12-04 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 (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-20100190823-A1 Therapeutic ((Bicylicheteroaryl)Imidazolyl) Methylheteroaryl Compounds OAT, HMGCR, GOT2 ADRA2A 1446/4885ADRA2B 1766/4885ADRA2C 872/4885

“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.