SCHEMBL3324581

SCHEMBL3324581

CC(=O)Nc1nc(N2CCOCC2)c2[nH]c(Nc3ccc(C)cc3)nc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.49
MTOR P42345 3/20 0.49
PIK3R1 P27986 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPK1 P28482 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SRC P12931 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
STAT3 P40763 3/20 0.44

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
SCHEMBL431120 0.85 MTOR (0.47) PIK3CAMTORPIK3R1SMN1; SMN2MAPK1
SCHEMBL10198825 0.74 CHEK1 (0.50) PIK3CAMTORPIK3R1SMN1; SMN2KDM4E
SCHEMBL3326043 0.73 LMNA (0.58) SMN1; SMN2MAPK1LMNAKDM4EALDH1A1
SCHEMBL12773823 0.71 CHEK1 (0.55) PIK3CAMTORSMN1; SMN2LMNAKDM4E
SCHEMBL14259010 0.69 LMNA (0.56) SMN1; SMN2MAPK1LMNAKDM4EALDH1A1
SCHEMBL4362437 0.66 MTOR (0.69) PIK3CAMTORPIK3R1
SCHEMBL21135295 0.66 STAT3 (0.50) PIK3CAMTORPIK3R1KDM4ESTAT3
SCHEMBL3752841 0.65 PIK3CA (0.49) PIK3CAMTORPIK3R1STAT3JAK2
SCHEMBL21135294 0.65 MAPT (0.44) PIK3CAMTORSTAT3PIK3CG
SCHEMBL3931130 0.64 PIK3CA (0.53) PIK3CAMTORPIK3R1PIK3CG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS CORP. (US) 2010-05-13 US disclosed
US-7410990-B2 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-08-12 US disclosed
US-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss SYNTA PHARMACEUTICALS CORP. (US) 2008-03-06 US disclosed
US-20070027151-A1 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 US disclosed
US-7122665-B2 Heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-17 US disclosed
EP-1556140-A4 NOVEL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2006-04-19 EP disclosed
EP-1556140-A2 NOVEL COMPOUNDS Synta Pharmaceuticals Corporation (US) 2005-07-27 EP disclosed
US-20040198725-A1 A bi-heterocyclic compound e.g 3-methoxyphenyl)-{6-Morpholin-4-yl-2-[2-(pyridin-2-yloxy)-ethoxy]-9H-purin-8-yl}-amine or other derivatives useful for treating an interleukin-12 overproduction-related disorder such as rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis or diabetes SYNTA PHARMACEUTICALS CORP. 2004-10-07 US disclosed
WO-2004035740-A2 AROMATIC BICYCLIC HETEROCYLES TO MODULATE 1L - 12 PRODUCTION SYNTA PHARMACEUTICALS CORP. (US) 2004-04-29 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 (4 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-20080058297-A1 Heterocyclic Compounds For Preventing And Treating Disorders Associated With Excessive Bone Loss BRCA1, VHL, ESR1 PIK3CA 386/4885MTOR 780/4885PIK3R1 1957/4885
US-20040198725-A1 A bi-heterocyclic compound e.g 3-methoxyphenyl)-{6-Morpholin-4-yl-2-[2-(pyridin-2-yloxy)-ethoxy]-9H-purin-8-yl}-amine or other derivatives useful for treating an interleukin-12 overproduction-related disorder such as rheumatoid arthritis, sepsis, Crohn's disease, multiple sclerosis, psoriasis or diabetes MSR1, NGFR, NR0B1 PIK3CA 4824/4885MTOR 2881/4885PIK3R1 1895/4885
US-20100120722-A1 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS BRCA1, VHL, ESR1 PIK3CA 386/4885MTOR 780/4885PIK3R1 1957/4885
US-20070027151-A1 Heterocyclic compounds NRAS, OXER1, HCRTR2 PIK3CA 3455/4885MTOR 1741/4885PIK3R1 1496/4885

“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.