SCHEMBL3604588

SCHEMBL3604588

CC(=O)c1ccc(Nc2ncc(-c3sc(NC(=N)N)nc3C)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CFTR P13569 2/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 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
SCHEMBL3606524 0.92 MEN1 (0.56) PIK3CGPIK3CAMEN1KMT2ARAB9A
SCHEMBL3601612 0.87 MEN1 (0.47) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL3603793 0.83 MAPT (0.50) MEN1KMT2APOLBSMN1; SMN2CFTR
SCHEMBL13037507 0.83 MEN1 (0.38) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL3608754 0.83 CCNA2 (0.41) PIK3CGMEN1KMT2ARAB9ANPC1
SCHEMBL3593723 0.81 KMT2A (0.45) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL3596962 0.73 MKNK2 (0.49) MEN1KMT2ASMN1; SMN2CFTRMAPT
SCHEMBL3601760 0.71 MEN1 (0.63) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL3600169 0.69 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4601715 0.69 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2MAPTALDH1A1

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 5 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
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-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GLATTHAR RALF 2010-06-03 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 (2 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-20100137340-A1 FUSED PYRIMIDINONE COMPOUNDS AS MGLUR LIGANDS GRM1, GRM2, GRM3 PIK3CG 1701/4885PIK3CD 1675/4885PIK3CA 1989/4885
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.