SCHEMBL578563

SCHEMBL578563

CC1CC(c2ccc(Br)cc2)=CCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
PNMT P11086 3/20 0.42
ADRA2A P08913 2/20 0.42
ADRA2B P18089 2/20 0.42
ADRA2C P18825 2/20 0.42
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM1A O60341 1/20 0.31
SLC6A3 Q01959 2/20 0.31
QDPR P09417 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR2A P28223 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL4790146 0.83 NISCH (0.41) HTR2CMAPTTDP1KDM1AQDPR
SCHEMBL4789908 0.81 PTGS1 (0.34) MAPTALDH1A1QDPRSIGMAR1HTR7
SCHEMBL4790395 0.81 SIGMAR1 (0.50) HTR2CALDH1A1SLC6A3SIGMAR1HTR7
SCHEMBL4789903 0.80 ADRA2A (0.41) HTR2CPNMTADRA2AADRA2BADRA2C
SCHEMBL4790187 0.78 CHRNB2 (0.38) MAPTMAPK1LMNA
SCHEMBL5120222 0.77 HTR2C (0.38) HTR2CKDM1AHTR2AHTR2B
SCHEMBL7747172 0.74 QDPR (0.53) MAPTQDPR
SCHEMBL7444323 0.72 POLB (0.41) HTR2CMAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL4789469 0.71 ALDH1A1 (0.35) HTR2CPNMTADRA2AADRA2BADRA2C
Trifluoroacetic Acid SCHEMBL16422651 0.71 KDM1A (0.43) KDM1ASLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 HTR2C 222/4885PNMT 759/4885ADRA2A 1504/4885

“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.