SCHEMBL3612018

SCHEMBL3612018

N=C(N)Nc1nc(-c2ccc(OCCN3CCCC3)cc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
ROCK1 Q13464 5/20 0.54
PRKACA P17612 1/20 0.54
ATP4A P20648 4/20 0.53
ATP4B P51164 4/20 0.53
MCHR1 Q99705 1/20 0.51
NPC1 O15118 1/20 0.47
LTA4H P09960 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CHEK1 O14757 1/20 0.46
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44

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
SCHEMBL3608066 0.81 MCHR1 (0.46) ACHEROCK1PRKACAATP4AATP4B
SCHEMBL3613064 0.79 ALDH1A1 (0.47) ACHELTA4HHRH3CHEK1
SCHEMBL7437601 0.79 ATP4A (0.54) ACHEROCK1PRKACAATP4AATP4B
SCHEMBL7436848 0.78 ATP4A (0.56) ACHEROCK1PRKACAATP4AATP4B
SCHEMBL3600865 0.78 MAOA (0.53) ACHEROCK1NPC1
Hydrochloric Acid SCHEMBL7440865 0.78 ATP4A (0.55) ACHEROCK1PRKACAATP4AATP4B
Hydrochloric Acid SCHEMBL7443354 0.77 ATP4A (0.57) ACHEROCK1PRKACAATP4AATP4B
SCHEMBL7437613 0.77 ATP4A (0.54) ACHEROCK1PRKACAATP4AATP4B
SCHEMBL13883476 0.76 HRH3 (0.61) LTA4HHRH3
Hydrochloric Acid SCHEMBL7440874 0.76 ATP4A (0.55) ACHEROCK1PRKACAATP4AATP4B

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
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ACHE 176/4885ROCK1 550/4885PRKACA 1227/4885

“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.