SCHEMBL3596697

SCHEMBL3596697

Cc1nc(NC(=N)N)sc1-c1cccc(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PIK3CG P48736 10/20 0.42
PIK3CD O00329 9/20 0.42
PIK3CA P42336 9/20 0.42
PIK3CB P42338 9/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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 SCHEMBL7140582 0.99 XIAP (0.46) XIAPMEN1KMT2ANPC1RAB9A
SCHEMBL3606518 0.85 MEN1 (0.50) XIAPMEN1KMT2ANPC1RAB9A
SCHEMBL12992183 0.84 PIK3CG (0.60) XIAPPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3604664 0.84 TRPM8 (0.37) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3608584 0.83 PIK3CG (0.51) XIAPMEN1KMT2ANPC1RAB9A
SCHEMBL3607006 0.83 MEN1 (0.55) XIAPMEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL7142142 0.82 PIK3CD (0.50) XIAPMEN1KMT2ANPC1RAB9A
SCHEMBL3606458 0.82 TRPM8 (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL3593422 0.82 XIAP (0.47) XIAPMEN1KMT2ANPC1RAB9A
SCHEMBL3606951 0.81 IL2 (0.47) XIAPMEN1KMT2ANPC1RAB9A

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 8 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
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
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 XIAP 4640/4885MEN1 3257/4885KMT2A 4116/4885

“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.