SCHEMBL3103709

SCHEMBL3103709

COC(=O)CNc1cc(C(=O)N(C)c2ccc3[nH]cc(C)c3c2)nc(N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.40
▸ HSP90AA1 P07900 13/20 0.38
▸ HSP90AB1 P08238 13/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NAPEPLD Q6IQ20 1/20 0.34

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
SCHEMBL3116342 0.92 PKM (0.38) PIK3CAHSP90AA1HSP90AB1ALDH1A1GLA
SCHEMBL428095 0.81 POLB (0.44) HSP90AA1HSP90AB1ALDH1A1TP53KDM4E
SCHEMBL3111651 0.80 KDM4E (0.38) PIK3CAHSP90AA1HSP90AB1TP53KDM4E
SCHEMBL3114137 0.80 TP53 (0.39) HSP90AA1HSP90AB1TP53
SCHEMBL3103694 0.72 PIK3CA (0.42) PIK3CAALDH1A1GLATP53KDM4E
SCHEMBL3997714 0.69 PIK3CA (0.53) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL3100682 0.66 PIK3CA (0.52) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL11926294 0.65 PIK3CA (0.43) PIK3CAALDH1A1GLATP53KDM4E
SCHEMBL3108579 0.64 ALDH1A1 (0.43) PIK3CAALDH1A1GLAPKMKDM4E
SCHEMBL11926334 0.64 RAF1 (0.49) ALDH1A1GLAKDM4EHPGDHSD17B10

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 6 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

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 2810/4885HSP90AA1 1598/4885HSP90AB1 1262/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885HSP90AA1 1598/4885HSP90AB1 1262/4885

“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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