SCHEMBL6142191

SCHEMBL6142191

N=C(N)Nc1ccc2scnc2c1Br

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7206716 0.83 NPC1 (0.33) NPC1RAB9A
SCHEMBL1193025 0.71 PI4KA (0.34) MEN1KMT2A
SCHEMBL6142194 0.70 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6142360 0.69 LMNA (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6142535 0.69 CYP3A4 (0.49) ADRA1AMEN1KMT2A
SCHEMBL7202916 0.69 RIPK2 (0.33)
SCHEMBL31390036 0.67 ALDH1A1 (0.33)
SCHEMBL31389476 0.67 ALDH1A1 (0.33)
SCHEMBL31389690 0.67 ALDH1A1 (0.33)
SCHEMBL1669608 0.67 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944604-B1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2005-01-12 EP claimed
CN-1104422-C Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2003-04-02 CN claimed
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-09-12 US claimed
US-6225331-B1 FOR THERAPY AND PROPHYLAXIS NASAL CONGESTION, OTITIS MEDIA, AND SINUSITIS, TREATING COUGH, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND/OR ASTHMA, BENIGN PROSTATIC HYPERTROPHY, CARDIOVASCULAR DISORDERS, GLAUCOMA, HYPEREMIA, CONJUNCTIVITIS THE PROCTER & GAMBLE COMPANY 2001-05-01 US claimed
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2001-04-19 US claimed
CN-1242006-A Guanidinyl heterocyclic compounds as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-01-19 CN claimed
EP-0944604-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP claimed
WO-1998023596-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO claimed
EP-0944604-B1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2005-01-12 EP disclosed
US-6610720-B2 Administering to the patient an alpha-2 adrenoreceptor agonist for the treatment or prevention of emesis MERCK FROSST CANADA & CO. (CA) 2003-08-26 US disclosed
CN-1104422-C Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2003-04-02 CN disclosed
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists CUPPS THOMAS LEE (US) 2002-09-12 US disclosed
US-6391878-B2 COMPOUNDS SUCH AS (4,7-DIMETHYLBENZIMIDAZOL-5-YL)GUANIDINE; TREATING NASAL CONGESTION, OTITIS MEDIA, ASTHMA, PAIN, MIGRAINE, GASTROINTESTINAL DISORDER, ULCER THE PROCTER & GAMBLE COMPANY 2002-05-21 US disclosed
US-20020045565-A1 Method for treating or preventing emesis MERCK FROSST CANADA LTD. (CA) 2002-04-18 US disclosed
US-6225331-B1 FOR THERAPY AND PROPHYLAXIS NASAL CONGESTION, OTITIS MEDIA, AND SINUSITIS, TREATING COUGH, CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND/OR ASTHMA, BENIGN PROSTATIC HYPERTROPHY, CARDIOVASCULAR DISORDERS, GLAUCOMA, HYPEREMIA, CONJUNCTIVITIS THE PROCTER & GAMBLE COMPANY 2001-05-01 US disclosed
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2001-04-19 US disclosed
EP-0944604-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023596-A1 GUANIDINYL HETEROCYCLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 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 (3 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-20020045565-A1 Method for treating or preventing emesis ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885
US-20010000345-A1 Compounds such as (4,7-dimethylbenzimidazol-5-yl)guanidine; treating nasal congestion, otitis media, asthma, pain, migraine, gastrointestinal disorder, ulcer ADRB2, ADRA2C, ADRA2B ADRA2A 5/4885ADRA2B 3/4885ADRA2C 2/4885
US-20020128481-A1 Guanidinyl heterocycle compounds useful as alpha-2 adrenoceptor agonists ADRB2, ADRA2C, ADRA2A ADRA2A 3/4885ADRA2B 6/4885ADRA2C 2/4885

“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.