SCHEMBL6054563

SCHEMBL6054563

Cc1cc(Cl)c(NC2=NCCN2)c2nsnc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.63
ADRA2B P18089 6/20 0.63
ADRA2C P18825 6/20 0.63
LMNA P02545 5/20 0.63
ADRA1A P35348 4/20 0.63
NISCH Q9Y2I1 3/20 0.63
HRH2 P25021 2/20 0.63
CFB P00751 3/20 0.61
HTR1D P28221 5/20 0.55
HTR1B P28222 4/20 0.55
ADRA1D P25100 3/20 0.55
ADRA1B P35368 3/20 0.55
CYP2D6 P10635 3/20 0.55
TSHR P16473 2/20 0.55
NFKB1 P19838 2/20 0.55
CYP1A2 P05177 1/20 0.55
HSD17B10 Q99714 1/20 0.55
BLM P54132 3/20 0.53
HIF1A Q16665 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL6054523 0.90 ADRA2A (0.63) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL6054545 0.88 ADRA2A (0.71) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL6054534 0.88 HTR1D (0.58) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL6054557 0.84 ADRA2A (0.63) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL6054532 0.79 ADRA2A (0.63) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL14976356 0.78 CFB (0.67) ADRA2AADRA2BADRA2CLMNAADRA1A
Tizanidine SCHEMBL60334 0.77 ADRA2A (1.00) ADRA2AADRA2BADRA2CLMNAADRA1A
Tizanidine SCHEMBL20769844 0.77 ADRA2A (1.00) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL24658874 0.77 ADRA2A (0.71) ADRA2AADRA2BADRA2CLMNAADRA1A
SCHEMBL6054585 0.76 ADRA2A (0.70) ADRA2AADRA2BADRA2CLMNAADRA1A

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
US-4442084-A ABSORPTION, LIQUID PHASE CLAUS PROCESS, RECYCLING SANDOZ LTD. (CH) 1984-04-10 US claimed
US-20060063813-A1 Organic compounds CRAWLEY PATRICK E 2006-03-23 US disclosed
EP-1556042-A2 COMBINATIONS OF BENZODITHIAZOLES AND COX-2 INHIBITORS FOR THE TREATMENT OF PAIN Novartis AG (CH) 2005-07-27 EP disclosed
WO-2004035030-A2 COMBINATIONS OF BENZODITHIAZOLES AND COX-2 INHIBITORS FOR THE TREATMENT OF PAIN NOVARTIS AG (CH) 2004-04-29 WO disclosed
US-4442084-A ABSORPTION, LIQUID PHASE CLAUS PROCESS, RECYCLING SANDOZ LTD. (CH) 1984-04-10 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-20060063813-A1 Organic compounds PTGES2, PTGS2, PTGER2 ADRA2A 1059/4885ADRA2B 1064/4885ADRA2C 525/4885

“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.