SCHEMBL3116342

SCHEMBL3116342

Cc1c[nH]c2ccc(N(C)C(=O)c3cc(NCC(=O)O)nc(N4CCOCC4)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.38
▸ HSP90AA1 P07900 8/20 0.38
▸ HSP90AB1 P08238 7/20 0.38
▸ PIK3CA P42336 6/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ PIK3CB P42338 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3103709 0.92 PIK3CA (0.40) PKMHSP90AA1HSP90AB1PIK3CAALDH1A1
SCHEMBL428095 0.79 POLB (0.44) HSP90AA1HSP90AB1ALDH1A1TP53KDM4E
SCHEMBL3111651 0.79 KDM4E (0.38) HSP90AA1HSP90AB1PIK3CATP53KDM4E
SCHEMBL3114137 0.78 TP53 (0.39) HSP90AA1HSP90AB1TP53
SCHEMBL3116305 0.71 PIN1 (0.44) PKMPIK3CAALDH1A1GLAKDM4E
SCHEMBL3100682 0.69 PIK3CA (0.52) PKMPIK3CAALDH1A1GLAPIK3CB
SCHEMBL11926294 0.66 PIK3CA (0.43) PIK3CAALDH1A1GLATP53KDM4E
SCHEMBL3105933 0.66 PIK3CA (0.50) PKMPIK3CAALDH1A1GLAPIK3CB
SCHEMBL3111777 0.65 ALDH1A1 (0.48) PKMPIK3CAALDH1A1GLAKDM4E
SCHEMBL3114446 0.65 ALDH1A1 (0.53) PKMPIK3CAALDH1A1GLAPIK3CB

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 8 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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP 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 PKM 3729/4885HSP90AA1 1598/4885HSP90AB1 1262/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PKM 3729/4885HSP90AA1 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.

Send feedback