Guanfacine

Guanfacine

SCHEMBL439819

CCCCOC(N)=O.Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2C

The experimentally established mechanism targets of Guanfacine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A known ✓ P08913 2/20 0.39
ADRA2B known ✓ P18089 1/20 0.37
ADRA2C known ✓ P18825 1/20 0.37
MAPK1 P28482 2/20 0.41
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
GMNN O75496 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
MEN1 O00255 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
LMNA P02545 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAOA P21397 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37

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
Guanfacine SCHEMBL439707 0.99 MAPK1 (0.42) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL790262 0.94 ALDH1A1 (0.39) MAPK1KMT2AADRA2AMAPTMEN1
Guanfacine SCHEMBL439689 0.94 KMT2A (0.42) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL440251 0.93 KMT2A (0.43) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL789122 0.88 KMT2A (0.41) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL437682 0.88 MAPT (0.43) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL439673 0.87 KMT2A (0.43) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL789222 0.85 KMT2A (0.43) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL1173133 0.83 ADRA2A (0.53) MAPK1KMT2AADRA2AMAPTGMNN
Guanfacine SCHEMBL41681 0.83 ADRA2A (0.53) MAPK1KMT2AADRA2AMAPTGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616434-A1 PRODRUGS OF GUANFACINE Shire LLC (US) 2013-07-24 EP disclosed
WO-2012035346-A1 PRODRUGS OF GUANFACINE SHIRE, LLC (US) 2012-03-22 WO disclosed
US-20120065152-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-03-15 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 (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-20120065152-A1 PRODRUGS OF GUANFACINE UGT1A6, GDA, UGT1A3 ADRA2A 172/4885ADRA2B 344/4885ADRA2C 171/4885

“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.