SCHEMBL3029978

SCHEMBL3029978

NCC(c1ccc(-c2cn[nH]c2)cc1)c1ccccn1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 6/20 0.74
AKT1 P31749 3/20 0.50
ROCK1 Q13464 9/20 0.49
MYLK4 Q86YV6 7/20 0.49
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRM2 P08172 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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
SCHEMBL3019496 0.86 AKT2 (0.54) AKT2AKT1ROCK1CHRM2SLC6A2
SCHEMBL1978044 0.86 AKT2 (1.00) AKT2AKT1ROCK1MYLK4CHRNB2
SCHEMBL3030209 0.85 AKT2 (0.53) AKT2AKT1ROCK1MYLK4CHRM2
SCHEMBL1978482 0.84 CHRM2 (0.67) AKT2ROCK1CHRM2SLC6A2SLC6A4
SCHEMBL3014453 0.83 AKT2 (0.64) AKT2AKT1ROCK1MYLK4
SCHEMBL3024656 0.79 AKT2 (0.56) AKT2AKT1ROCK1MYLK4
SCHEMBL1422822 0.79 SLC6A2 (0.59) CHRNB2CHRNA4CHRM2SLC6A2SLC6A4
SCHEMBL27511961 0.79 SLC6A2 (0.59) CHRNB2CHRNA4CHRM2SLC6A2SLC6A4
SCHEMBL2066147 0.79 SLC6A2 (0.59) CHRNB2CHRNA4CHRM2SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL7927468 0.77 SLC6A2 (0.57) CHRNB2CHRNA4CHRM2SLC6A2SLC6A4

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 88/4885AKT1 73/4885ROCK1 590/4885

“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.