SCHEMBL7207377

SCHEMBL7207377

Cc1cc(NC2=NCCN2)c(C)c2scnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.48
ADRA1A P35348 10/20 0.48
ADRA2B P18089 10/20 0.48
ADRA2C P18825 10/20 0.48
ADRA1D P25100 10/20 0.48
ADRA1B P35368 9/20 0.48
HTR1D P28221 3/20 0.44
HTR1B P28222 2/20 0.44
HTR7 P34969 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NR1I2 O75469 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL7210059 0.80 ADRA2A (0.46) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6787690 0.78 ADRA2A (0.62) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6964869 0.75 ADRA2A (0.55) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL7202832 0.75 ADRA2A (0.62) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL8692296 0.74 ADRA2A (0.54) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8117240 0.74 ADRA2C (0.55) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL8111465 0.73 ADRA2C (0.53) ADRA2AADRA1AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL8111493 0.73 ADRA2A (0.53) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL8926989 0.73 ADRA2A (0.52) ADRA2AADRA1AADRA2BADRA2CADRA1D
SCHEMBL6785223 0.73 ADRA2A (0.50) ADRA2AADRA1AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998023612-A1 2-IMIDAZOLINYLAMINOBENZOTHIAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO claimed
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
US-20020045565-A1 Method for treating or preventing emesis MERCK FROSST CANADA LTD. (CA) 2002-04-18 US disclosed
WO-1998023612-A1 2-IMIDAZOLINYLAMINOBENZOTHIAZOLE 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 (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-20020045565-A1 Method for treating or preventing emesis ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA1A 7/4885ADRA2B 4/4885

“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.