SCHEMBL16773670

SCHEMBL16773670

Cc1nc(Cl)c(NC2=NCCN2)c(CO)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 7/20 0.66
▸ ADRA2A P08913 6/20 0.66
▸ ADRA2B P18089 6/20 0.66
▸ ADRA1A P35348 6/20 0.66
▸ LMNA P02545 5/20 0.66
▸ NISCH Q9Y2I1 3/20 0.66
▸ HTR1A P08908 2/20 0.66
▸ HRH2 P25021 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ BLM P54132 4/20 0.64
▸ ALOX15 P16050 1/20 0.64
▸ PMP22 Q01453 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ CFB P00751 4/20 0.46
▸ HTR1D P28221 4/20 0.44
▸ ADRA1D P25100 4/20 0.44
▸ ADRA1B P35368 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ HIF1A Q16665 2/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL2333058 0.85 ADRA2C (0.76) ADRA2CADRA2AADRA2BADRA1ALMNA
Moxonidine SCHEMBL29363838 0.80 ADRA2C (1.00) ADRA2CADRA2AADRA2BADRA1ALMNA
Moxonidine SCHEMBL8390103 0.80 ADRA2C (1.00) ADRA2CADRA2AADRA2BADRA1ALMNA
Moxonidine SCHEMBL49143 0.80 ADRA2C (1.00) ADRA2CADRA2AADRA2BADRA1ALMNA
Moxonidine SCHEMBL1321306 0.78 BLM (1.00) ADRA2CADRA2AADRA2BADRA1ALMNA
Moxonidine SCHEMBL1230620 0.77 BLM (0.97) ADRA2CADRA2AADRA2BADRA1ALMNA
Moxonidine SCHEMBL30484346 0.77 BLM (0.97) ADRA2CADRA2AADRA2BADRA1ALMNA
SCHEMBL11252813 0.77 ADRA2C (0.64) ADRA2CADRA2AADRA2BADRA1ALMNA
SCHEMBL11242767 0.76 ADRA2C (0.74) ADRA2CADRA2AADRA2BADRA1ALMNA
Moxonidine SCHEMBL5006894 0.76 ADRA2C (0.86) ADRA2CADRA2AADRA2BADRA1ALMNA

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-20150152114-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR A TRIAZOLOPYRIMIDINE CARBONUCLEOSIDE ENANTIA, S.L. (ES) 2015-06-04 — — 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-20150152114-A1 PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR A TRIAZOLOPYRIMIDINE CARBONUCLEOSIDE NUDT1, DUT, UMPS ADRA2C 1943/4885ADRA2A 2831/4885ADRA2B 2520/4885

“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.

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