SCHEMBL4645149

SCHEMBL4645149

CC(C)Nc1nccc(NCCN)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.54
HRH4 Q9H3N8 7/20 0.52
ADRA1D P25100 1/20 0.47
HTR2C P28335 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
STK17A Q9UEE5 1/20 0.47
HRH3 Q9Y5N1 5/20 0.46
CXCR4 P61073 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
MAP2K2 P36507 1/20 0.44
CDK7 P50613 1/20 0.44
TLR8 Q9NR97 1/20 0.42

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
SCHEMBL4686041 0.84 HTR7 (0.54) HTR7HRH4ADRA1DHTR2CADRA1A
SCHEMBL2844731 0.79 ABL1 (0.52) HTR7HRH4ADRA1DHTR2CADRA1A
SCHEMBL6081798 0.79 HRH4 (0.44) HTR7HRH4ADRA1DHTR2CADRA1A
SCHEMBL12411106 0.76 ABL1 (0.50) HTR7HRH4ADRA1DHTR2CADRA1A
SCHEMBL28157922 0.76 CXCR4 (0.51) HTR7HRH4STK17AHRH3CXCR4
SCHEMBL21364894 0.75 STK17A (0.64) STK17ALCK
SCHEMBL6081834 0.74 STK17A (0.47) HTR7HRH4ADRA1DHTR2CADRA1A
SCHEMBL6080832 0.74 HTR7 (0.42) HTR7HRH4ADRA1DHTR2CADRA1A
Carbamic Acid SCHEMBL2847023 0.73 ABL1 (0.48) HTR7HRH4ABL1LCKCSF1R
SCHEMBL19033878 0.73 HRH4 (0.81) HRH4HRH3TLR8

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-1675830-A4 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC (US) 2008-08-20 EP disclosed
US-20060199821-A1 Heterocyclic amides and sulfonamides SCIOS, INC. (US) 2006-09-07 US disclosed
EP-1675830-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2006-07-05 EP disclosed
WO-2005033072-A2 HETEROCYCLIC AMIDES AND SULFONAMIDES SCIOS INC. (US) 2005-04-14 WO 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-20060199821-A1 Heterocyclic amides and sulfonamides MAP4K2, MAP3K8, MAP3K2 HTR7 1715/4885HRH4 966/4885ADRA1D 3796/4885

“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.