SCHEMBL20796090

SCHEMBL20796090

CN1C(=O)[C@@]23C[C@]4([C@]56C[C@@]78SS[C@@](C)(C(=O)N7[C@H]5Nc5ccccc56)N(C)C8=O)c5ccccc5N[C@@H]4N2C(=O)[C@]1(C)SS3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 9/20 1.00
▸ SUV39H1 O43463 3/20 1.00
▸ HIF1A Q16665 3/20 0.72
▸ EP300 Q09472 2/20 0.72
▸ NSD2 O96028 1/20 0.72
▸ TXNRD1 Q16881 1/20 0.72
▸ NSD1 Q96L73 1/20 0.72
▸ NSD3 Q9BZ95 1/20 0.72
▸ KMT2A Q03164 1/20 0.57
▸ TACR1 P25103 4/20 0.39
▸ CNR1 P21554 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL29779939 1.00 EHMT2 (1.00) EHMT2SUV39H1HIF1AEP300NSD2
SCHEMBL29623118 1.00 EHMT2 (1.00) EHMT2SUV39H1HIF1AEP300NSD2
SCHEMBL29390533 1.00 EHMT2 (1.00) EHMT2SUV39H1HIF1AEP300NSD2
SCHEMBL22963777 0.91 EHMT2 (0.83) EHMT2SUV39H1HIF1AEP300NSD2
SCHEMBL18294715 0.87 EHMT2 (0.75) EHMT2SUV39H1HIF1AEP300NSD2
SCHEMBL15856811 0.85 EHMT2 (0.72) EHMT2SUV39H1HIF1AEP300NSD2
Chaetocin SCHEMBL20796284 0.84 EHMT2 (1.00) EHMT2SUV39H1HIF1AEP300NSD2
Chaetocin SCHEMBL22065398 0.84 EHMT2 (1.00) EHMT2SUV39H1HIF1AEP300NSD2
Chaetocin SCHEMBL19382420 0.84 EHMT2 (1.00) EHMT2SUV39H1HIF1AEP300NSD2
Chaetocin SCHEMBL13662582 0.84 EHMT2 (1.00) EHMT2SUV39H1HIF1AEP300NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10918735-B2 Substituted pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-02-16 — — US disclosed
US-20190255187-A1 SUBSTITUTED PYRAZINO[1',2':1,5]PYRROLO[2,3-B]INDOLE-1,4-DIONES FOR CANCER TREATMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-22 — — US disclosed
US-10220099-B2 Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-03-05 — — 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 (3 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-20190255187-A1 SUBSTITUTED PYRAZINO[1',2':1,5]PYRROLO[2,3-B]INDOLE-1,4-DIONES FOR CANCER TREATMENT IDO1, NPY1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EHMT2 1551/4885SUV39H1 2673/4885HIF1A 3839/4885
US-10918735-B2 Substituted pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment IDO1, IDO2, INMT EHMT2 2850/4885SUV39H1 3470/4885HIF1A 2056/4885
US-10220099-B2 Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment IDO1, NPY1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 EHMT2 1562/4885SUV39H1 2722/4885HIF1A 3782/4885

“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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