SCHEMBL13017232

SCHEMBL13017232

CC(=N)Nc1ccc2c(c1)Cc1ccc(NC(=N)N)cc1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.42
ADRA2A P08913 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
RAB9A P51151 2/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.35
PLAU P00749 2/20 0.35
BAZ2B Q9UIF8 1/20 0.35
TMPRSS2 O15393 3/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3775697 0.91 CYP1A2 (0.42) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL3736944 0.82 RAB9A (0.53) CYP1A2ADRA2AMAOASLC6A2HTR2C
Hydrochloric Acid SCHEMBL3727655 0.81 RAB9A (0.51) CYP1A2ADRA2AMAOASLC6A2HTR2C
SCHEMBL3783652 0.74 ADRA2A (0.55) ADRA2ARAB9AKMT2AMAPTPOLB
SCHEMBL13017203 0.74 NPC1 (0.53) ADRA2ARAB9AKMT2AMAPTPOLB
SCHEMBL3771009 0.74 PLAU (0.57) CYP1A2ADRA2ARAB9AKMT2ACYP3A4
SCHEMBL10310209 0.72 PLAU (0.40) ADRA2ARAB9AKMT2AMAPTPOLB
SCHEMBL13017226 0.70 AOC3 (0.46) RAB9ACYP3A4POLBNPC1
Hydrochloric Acid SCHEMBL1789491 0.69 ROCK2 (0.45) MAOACYP3A4TMPRSS2
SCHEMBL1996992 0.69 F2 (0.50) RAB9ACYP3A4MAPTNPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331384-A1 GUANIDINE BASED COMPOUNDS UNIVERSIDAD DEL PAIS VASCO/EUSKAL HERRIKO UNIBERTSITATEA (ES) 2010-12-30 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-20100331384-A1 GUANIDINE BASED COMPOUNDS ADRB2, ADRA2A, ADRA2C CYP1A2 304/4885ADRA2A 2/4885MAOA 711/4885

“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.