SCHEMBL21284289

SCHEMBL21284289

CC(C)[C@]12SS[C@@]3(C[C@]4([C@]56c7ccccc7N[C@H]5N5C(=O)[C@]7(C(C)C)SS[C@]5(C(=O)N7C)[C@H]6O)c5ccccc5N[C@@H]4N3C1=O)C(=O)N2C

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 7/20 0.59
▸ SUV39H1 O43463 3/20 0.59
▸ KMT2A Q03164 1/20 0.58
▸ HIF1A Q16665 3/20 0.55
▸ EP300 Q09472 2/20 0.55
▸ NSD2 O96028 1/20 0.55
▸ TXNRD1 Q16881 1/20 0.55
▸ NSD1 Q96L73 1/20 0.55
▸ NSD3 Q9BZ95 1/20 0.55
▸ TACR1 P25103 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
SCHEMBL20796180 0.87 KMT2A (0.74) EHMT2SUV39H1KMT2AHIF1AEP300
SCHEMBL15791198 0.87 KMT2A (0.74) EHMT2SUV39H1KMT2AHIF1AEP300
SCHEMBL15856818 0.87 KMT2A (0.74) EHMT2SUV39H1KMT2AHIF1AEP300
Verticillin D SCHEMBL29623170 0.81 KMT2A (0.73) EHMT2SUV39H1KMT2AHIF1AEP300
Verticillin D SCHEMBL19275239 0.81 KMT2A (0.73) EHMT2SUV39H1KMT2AHIF1AEP300
SCHEMBL30718025 0.80 KMT2A (0.63) EHMT2SUV39H1KMT2AHIF1AEP300
SCHEMBL17975444 0.80 KMT2A (0.63) EHMT2SUV39H1KMT2AHIF1AEP300
SCHEMBL30718026 0.80 KMT2A (0.63) EHMT2SUV39H1KMT2AHIF1AEP300
SCHEMBL20796090 0.75 EHMT2 (1.00) EHMT2SUV39H1KMT2AHIF1AEP300
SCHEMBL29623118 0.75 EHMT2 (1.00) EHMT2SUV39H1KMT2AHIF1AEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2673/4885KMT2A 1717/4885

“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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