SCHEMBL3353162

SCHEMBL3353162

Bc1c(NC2=NCCN2)ccc2nccnc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 20/20 0.71
ADRA2B P18089 20/20 0.71
ADRA2C P18825 20/20 0.71
ADRA1D P25100 14/20 0.71
ADRA1B P35368 12/20 0.71
ADRA1A P35348 12/20 0.71
LMNA P02545 2/20 0.71
KDM4E B2RXH2 1/20 0.71
NR1I2 O75469 1/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
HTR1A P08908 1/20 0.71
CYP2D6 P10635 1/20 0.71
MAPT P10636 1/20 0.71
HPGD P15428 1/20 0.71
ALOX15 P16050 1/20 0.71
MAPK1 P28482 1/20 0.71
BLM P54132 1/20 0.71
HSD17B10 Q99714 1/20 0.71

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
Brimonidine SCHEMBL29374525 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL29171467 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL7028091 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
Brimonidine SCHEMBL24670 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
Brimonidine SCHEMBL20511531 0.83 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL3346716 0.83 ADRA2A (0.63) ADRA2AADRA2BADRA2CADRA1DADRA1B
Brimonidine SCHEMBL1685506 0.82 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1B
Brimonidine SCHEMBL22616115 0.82 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL252912 0.79 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1B
SCHEMBL3346324 0.79 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012001065-A2 METHOD FOR PREVENTING OR TREATING SKIN TUMOR GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO disclosed
US-20110060045-A1 ANTI-DIABETIC CATARACT COMPOUNDS AND THEIR USES NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-03-10 US disclosed
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
EP-1549305-B1 ALPHA 2B 0R 2B/2C ADRENOCEPTOR AGONISTS FOR THE TREATMENT OF MORBUS ALZHEIMER AND MORBUS PARKINSON ALLERGAN INC (US) 2009-04-22 EP disclosed
EP-1485707-B1 CAPTURE COMPOUNDS, COLLECTIONS THEREOF AND METHODS FOR ANALYZING THE PROTEOME AND COMPLEX COMPOSITIONS CAPROTEC BIOANALYTICS GMBH (DE) 2009-01-14 EP 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-20110060045-A1 ANTI-DIABETIC CATARACT COMPOUNDS AND THEIR USES INSR, GPR119, ADRB1 ADRA2A 43/4885ADRA2B 39/4885ADRA2C 42/4885

“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.