SCHEMBL3607745

SCHEMBL3607745

CC(=O)NCc1cccc(-c2csc(NC(=N)N)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.56
ROCK1 Q13464 13/20 0.56
ABL1 P00519 3/20 0.55
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SGK1 O00141 1/20 0.50
AKT1 P31749 1/20 0.50
GSK3B P49841 1/20 0.50
LIMK1 P53667 1/20 0.50
TNK2 Q07912 1/20 0.50
DMPK Q09013 1/20 0.50
MYLK Q15746 1/20 0.50
CDC42BPA Q5VT25 1/20 0.50

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
SCHEMBL8648287 0.89 ROCK2 (0.56) ROCK2ROCK1ABL1ALDH1A1KDM4E
SCHEMBL3613000 0.87 ABL1 (0.54) ROCK1ABL1ALDH1A1KDM4EMAPT
SCHEMBL3616071 0.86 PRMT6 (0.62) ROCK2ROCK1ABL1ALDH1A1KDM4E
SCHEMBL3612358 0.86 AOC3 (0.57) ROCK2ROCK1ABL1ALDH1A1MAPT
Oxalic Acid SCHEMBL11248693 0.85 KDM4E (0.49) ROCK2ROCK1ABL1ALDH1A1KDM4E
SCHEMBL14019638 0.83 ABL1 (0.58) ROCK2ROCK1ABL1ALDH1A1KDM4E
SCHEMBL2395281 0.83 ATP4A (0.49) ROCK2ROCK1ABL1ALDH1A1NPC1
SCHEMBL8648939 0.83 HRH2 (0.57) ROCK2ROCK1ABL1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4877881 0.82 ABL1 (0.57) ROCK2ROCK1ABL1ALDH1A1KDM4E
SCHEMBL3612694 0.82 MAPT (0.67) ABL1ALDH1A1KDM4EMAPTNPC1

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 6 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
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 ROCK2 961/4885ROCK1 550/4885ABL1 4507/4885

“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.