SCHEMBL3608584

SCHEMBL3608584

Cc1nc(NC(=N)N)sc1-c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.51
PIK3CD O00329 9/20 0.51
PIK3CA P42336 8/20 0.51
PIK3CB P42338 7/20 0.51
CYP2D6 P10635 1/20 0.48
XIAP P98170 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
PI4KB Q9UBF8 6/20 0.42
CYP3A4 P08684 2/20 0.42

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
Hydrochloric Acid SCHEMBL7142142 0.99 PIK3CD (0.50) PIK3CGPIK3CDPIK3CAPIK3CBCYP2D6
SCHEMBL13074374 0.90 PIK3CD (0.52) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL11080713 0.85 XIAP (0.48) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL3596697 0.83 XIAP (0.47) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL3601760 0.83 MEN1 (0.63) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
Hydrochloric Acid SCHEMBL7140582 0.82 XIAP (0.46) PIK3CGPIK3CDPIK3CAPIK3CBXIAP
SCHEMBL48393 0.82 PIK3CG (0.74) PIK3CGPIK3CDPIK3CAPIK3CBCYP2D6
SCHEMBL3600336 0.82 CYP2D6 (0.37) PIK3CGPIK3CDPIK3CAPIK3CBCYP2D6
SCHEMBL3602972 0.81 PIK3CD (0.50) PIK3CGPIK3CDPIK3CAPIK3CBCYP2D6
SCHEMBL3600169 0.81 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CBXIAP

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 PIK3CG 4303/4885PIK3CD 3802/4885PIK3CA 4429/4885

“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.