SCHEMBL3607043

SCHEMBL3607043

CN(C)Cc1nc(-c2csc(NC(=N)N)n2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MAPT P10636 2/20 0.40
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AOC3 Q16853 2/20 0.34
ATP4A P20648 3/20 0.33
ATP4B P51164 3/20 0.33
MEN1 O00255 2/20 0.33
ABL1 P00519 2/20 0.33
PLAU P00749 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3605679 0.82 ATP4A (0.38) MAPTALDH1A1RAB9AKDM4ENPC1
SCHEMBL3602731 0.80 LOXL2 (0.48) MAPTROCK2ROCK1ALDH1A1RAB9A
SCHEMBL3609839 0.78 MAPT (0.44) MAPTROCK2ROCK1ALDH1A1KDM4E
SCHEMBL10549638 0.78 MAPT (0.39) MAPTROCK2ROCK1ALDH1A1KDM4E
SCHEMBL3613289 0.78 ABL1 (0.39) MAPTALDH1A1RAB9AKDM4ENPC1
SCHEMBL3607652 0.77 KDM4E (0.44) MAPTALDH1A1RAB9AKDM4ENPC1
SCHEMBL3603808 0.77 NPC1 (0.46) MAPTALDH1A1RAB9AKDM4ENPC1
Bromide SCHEMBL10546759 0.77 MAPT (0.39) MAPTROCK2ROCK1ALDH1A1KDM4E
SCHEMBL3599186 0.76 ATP4A (0.61) MAPTROCK2ROCK1ALDH1A1RAB9A
SCHEMBL3612796 0.76 PLAU (0.42) MAPTALDH1A1RAB9AKDM4ENPC1

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 CNR2 2846/4885PIK3CA 4429/4885PIK3CB 3954/4885

“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.