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
SCHEMBL4355664 0.64 PIK3CA (0.61) PIK3CAMTORPIK3R1SMN1; SMN2LMNA

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.

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