SCHEMBL3033798

SCHEMBL3033798

CNCCC(c1ccc(-c2cn[nH]c2)cc1)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.52
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
AKT1 P31749 5/20 0.41
ROCK2 O75116 5/20 0.41
ROCK1 Q13464 5/20 0.41
MYLK4 Q86YV6 3/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3030076 0.88 AKT2 (0.50) AKT2HTR2AHRH1AKT1ROCK2
SCHEMBL3019602 0.84 AKT2 (0.63) AKT2HRH1AKT1ROCK2ROCK1
SCHEMBL3026285 0.83 AKT2 (0.52) AKT2HTR2AHRH1SLC6A2SLC6A4
SCHEMBL1979011 0.83 AKT2 (0.50) AKT2HTR2AHRH1AKT1ROCK2
SCHEMBL1977801 0.83 ROCK2 (0.53) AKT2HTR2AHRH1SLC6A4AKT1
SCHEMBL1978888 0.83 AKT2 (0.65) AKT2HTR2AHRH1AKT1ROCK2
SCHEMBL1978444 0.81 ROCK2 (0.54) AKT2HTR2AHRH1SLC6A2SLC6A4
SCHEMBL1980599 0.81 ROCK2 (0.55) AKT2HTR2AHRH1AKT1ROCK2
SCHEMBL1978972 0.81 AKT2 (0.51) AKT2AKT1ROCK2CYP2C9CYP2C19
SCHEMBL1976907 0.80 SLC6A2 (0.52) AKT2HTR2AHRH1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 AKT2 88/4885HTR2A 56/4885HRH1 353/4885

“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.