SCHEMBL3100682

SCHEMBL3100682

CN(C)C(=O)CNc1cc(C(=O)O)nc(N2CCOCC2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 11/20 0.52
▸ ALDH1A1 P00352 5/20 0.47
▸ GLA P06280 1/20 0.47
▸ PKM P14618 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PIK3CB P42338 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HSD17B10 Q99714 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
SCHEMBL3111777 0.88 ALDH1A1 (0.48) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3108262 0.87 ALDH1A1 (0.48) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3108579 0.85 ALDH1A1 (0.43) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3105933 0.85 PIK3CA (0.50) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3114446 0.84 ALDH1A1 (0.53) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3103765 0.84 ALDH1A1 (0.46) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3105225 0.83 KDM4E (0.49) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3111878 0.82 ALDH1A1 (0.45) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3117501 0.81 ALDH1A1 (0.45) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3116623 0.81 PIK3CA (0.47) PIK3CAALDH1A1GLAPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO claimed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 — — US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 — — US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG PIK3CA 2810/4885ALDH1A1 1381/4885GLA 1497/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885ALDH1A1 1381/4885GLA 1497/4885

“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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