SCHEMBL3214786

SCHEMBL3214786

CNC1CCN(c2c[nH]c3cccnc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.46
ROCK1 Q13464 7/20 0.46
CDC42BPB Q9Y5S2 6/20 0.46
CDC42BPA Q5VT25 2/20 0.43
KCNMA1 Q12791 2/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
LRRK2 Q5S007 1/20 0.39
HTR1A P08908 2/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
PTPN11 Q06124 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CTSB P07858 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL3222860 0.83 KCNMA1 (0.41) KCNMA1
SCHEMBL3229389 0.82 AKT2 (0.47) ROCK2ROCK1CDC42BPBKCNMA1HTR1A
SCHEMBL20689362 0.80 KCNMA1 (0.48) ROCK2ROCK1CDC42BPBCDC42BPAKCNMA1
SCHEMBL3225528 0.80 CKS1B (0.50)
SCHEMBL3628431 0.79 FLT3 (0.47) ROCK2ROCK1CDC42BPBCDK9HRH4
SCHEMBL3616034 0.77 HTR2A (0.59) HTR1AHTR2AHTR2CSLC6A4
SCHEMBL3214631 0.77 ROCK2 (0.45) ROCK2ROCK1CDC42BPBCDC42BPAKCNMA1
SCHEMBL3220338 0.77 PIM1 (0.50)
SCHEMBL3267839 0.77 CKS1B (0.47)
SCHEMBL20689453 0.76 KCNMA1 (0.52) ROCK2ROCK1CDC42BPBKCNMA1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010024980-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 WO disclosed
US-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2010-03-04 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-20100056491-A1 4'-AMINO CYCLIC COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR4, HTR3B ROCK2 2180/4885ROCK1 2069/4885CDC42BPB 1903/4885

“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.