SCHEMBL6142541

SCHEMBL6142541

NC(N)=Nc1ccc2cccnc2c1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.62
ADRA2B P18089 3/20 0.62
ADRA2C P18825 3/20 0.62
ADRA1A P35348 2/20 0.62
ADRA1D P25100 1/20 0.62
ADRA1B P35368 1/20 0.62
LMNA P02545 3/20 0.47
MMP2 P08253 2/20 0.47
TSHR P16473 2/20 0.47
CYP3A4 P08684 2/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
HSP90AA1 P07900 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GMNN O75496 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
MMP9 P14780 1/20 0.47

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
SCHEMBL6142388 0.81 LMNA (0.49) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL580188 0.72 MMP2 (0.59) ADRA1ALMNAMMP2TSHRCYP3A4
SCHEMBL6142549 0.72 LMNA (0.58) ADRA1ALMNAMMP2TSHRCYP3A4
SCHEMBL6142363 0.71 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1AADRA1D
Bromide SCHEMBL27032828 0.70 MMP2 (0.57) ADRA1ALMNAMMP2TSHRCYP3A4
Phenanthroline SCHEMBL9806287 0.70 CCR1 (0.84) ADRA1ALMNAMMP2TSHRCYP3A4
SCHEMBL6142571 0.70 ADRA2A (0.45) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL6142535 0.70 CYP3A4 (0.49) ADRA1ALMNAMMP2TSHRCYP3A4
Phenanthroline SCHEMBL8150927 0.70 CCR1 (0.94) ADRA1ALMNAMMP2TSHRCYP3A4
Phenanthroline SCHEMBL28895954 0.68 CCR1 (0.80) ADRA1ALMNAMMP2TSHRCYP3A4

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-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 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.