SCHEMBL20620897

SCHEMBL20620897

COc1cc2c(N[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(N)nc2cc1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 4/20 0.53
▸ EHMT2 Q96KQ7 3/20 0.50
▸ TLR9 Q9NR96 1/20 0.49
▸ KDM1A O60341 1/20 0.49
▸ RCOR1 Q9UKL0 1/20 0.49
▸ DNMT3A Q9Y6K1 1/20 0.48
▸ PIK3CD O00329 2/20 0.46
▸ BTK Q06187 1/20 0.44
▸ PIM1 P11309 2/20 0.43
▸ PIM2 Q9P1W9 2/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ KMT5A Q9NQR1 1/20 0.42
▸ SPIN1 Q9Y657 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ WHR1 P49842 1/20 0.41

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
SCHEMBL20620894 1.00 NSD2 (0.53) NSD2EHMT2TLR9KDM1ARCOR1
SCHEMBL22026561 0.88 KMT5A (0.55) NSD2EHMT2TLR9DNMT3AKMT5A
SCHEMBL20620895 0.86 NSD2 (0.54) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL20620893 0.86 NSD2 (0.54) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL29453059 0.82 KMT5A (0.62) NSD2EHMT2KMT5AWHR1
SCHEMBL20621265 0.82 KMT5A (0.62) NSD2EHMT2KMT5AWHR1
SCHEMBL3920538 0.78 PDE4A (0.48) NSD2EHMT2PIK3CDPIM1PIM2
SCHEMBL12390464 0.78 NSD2 (0.70) NSD2EHMT2KDM1ARCOR1DNMT3A
SCHEMBL22026549 0.76 EHMT2 (0.58) EHMT2DNMT3AWHR1
SCHEMBL22026551 0.76 EHMT2 (0.58) EHMT2DNMT3AWHR1

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-11254654-B2 Heterochromatin gene repression inhibitors THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2022-02-22 — — US disclosed
US-20200181116-A1 HETEROCHROMATIN GENE REPRESSION INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2020-06-11 — — US disclosed
WO-2019006322-A1 HETEROCHROMATIN GENE REPRESSION INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-03 — — 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-11254654-B2 Heterochromatin gene repression inhibitors CTCF, EHMT2, CBX3 NSD2 163/4885EHMT2 2/4885TLR9 4800/4885
US-20200181116-A1 HETEROCHROMATIN GENE REPRESSION INHIBITORS CTCF, EHMT2, CBX3 NSD2 163/4885EHMT2 2/4885TLR9 4800/4885

“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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