SCHEMBL3111651

SCHEMBL3111651

COC(=O)NCCOc1cc(C(=O)N(C)c2ccc3[nH]cc(C)c3c2)nc(N2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 11/20 0.37
▸ HSP90AB1 P08238 10/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 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
SCHEMBL428095 0.85 POLB (0.44) KDM4ETP53HSP90AA1HSP90AB1MAPT
SCHEMBL3114137 0.84 TP53 (0.39) TP53HSP90AA1HSP90AB1
SCHEMBL3103709 0.80 PIK3CA (0.40) KDM4ETP53HSP90AA1HSP90AB1PIK3CA
SCHEMBL3116342 0.79 PKM (0.38) KDM4ESMN1; SMN2TP53HSP90AA1HSP90AB1
SCHEMBL3111642 0.74 KDM4E (0.41) KDM4ESMN1; SMN2TP53NPSR1MEN1
SCHEMBL427614 0.72 TP53 (0.38) SMN1; SMN2TP53MEN1KMT2APIK3CA
SCHEMBL3120773 0.68 KDM4E (0.48) KDM4ETSHRSMN1; SMN2CYP3A4CYP2C9
SCHEMBL304147 0.66 MAPT (0.41) KDM4ENPSR1MEN1KMT2ACYP3A4
SCHEMBL304145 0.66 MAPT (0.41) KDM4ENPSR1MEN1KMT2ACYP3A4
SCHEMBL11926386 0.64 ALDH1A1 (0.42) KDM4ESMN1; SMN2TP53MEN1KMT2A

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
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US 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 KDM4E 3666/4885TSHR 3812/4885SMN1; SMN2 4828/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KDM4E 3666/4885TSHR 3812/4885SMN1; SMN2 4828/4885

“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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