SCHEMBL23580985

SCHEMBL23580985

Cc1c([N+](=O)[O-])cnc(NC(=O)OC(C)(C)C)c1-c1cnn(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.46
▸ DYRK1A Q13627 3/20 0.46
▸ MAPT P10636 1/20 0.38
▸ ERN1 O75460 1/20 0.38
▸ AURKB Q96GD4 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MITF O75030 1/20 0.34
▸ PRMT1 Q99873 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ YES1 P07947 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.33
▸ RET P07949 3/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL23607512 0.83 DYRK1A (0.49) GSK3BDYRK1AAURKBABL1NTRK1
SCHEMBL23580326 0.81 GSK3B (0.48) GSK3BDYRK1AAURKBMAPK1USP30
SCHEMBL16071418 0.75 GSK3B (0.58) GSK3BDYRK1AMAPTERN1AURKB
SCHEMBL21753654 0.74 L3MBTL1 (0.42) GSK3BDYRK1AMAPTMITFPRMT1
SCHEMBL23580652 0.73 GSK3B (0.46) GSK3BDYRK1AAURKBMAPK1ABL1
SCHEMBL30340810 0.73 GSK3B (0.46) GSK3BDYRK1AAURKBMAPK1ABL1
SCHEMBL3524068 0.69 PRMT1 (0.35) MAPTMITFPRMT1MEN1KMT2A
SCHEMBL857380 0.69 AAK1 (0.42) MAPTMAPK1PRMT1LMNAPOLB
SCHEMBL29995208 0.69 PRMT1 (0.40) MAPTMAPK1PRMT1POLB
SCHEMBL18133987 0.68 MEN1 (0.43) MAPTMEN1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-04-06 — — US disclosed
WO-2021133917-A1 SMARCA INHIBITORS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-07-01 — — 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 (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-20230103415-A1 SMARCA INHIBITORS AND USES THEREOF SMARCC1, SMARCE1, SMARCA1 GSK3B 953/4885DYRK1A 3482/4885MAPT 3537/4885

“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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