SCHEMBL3781950

SCHEMBL3781950

NC(=O)c1cc(-c2ccccc2)ccc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 1.00
KDM4E B2RXH2 2/20 0.62
KMT2A Q03164 2/20 0.62
GFER P55789 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
ACMSD Q8TDX5 3/20 0.52
HNF4A P41235 2/20 0.52
DHFR P00374 1/20 0.52
MCL1 Q07820 1/20 0.52
HDAC1 Q13547 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC2 Q92769 2/20 0.51
CHUK O15111 4/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL9578379 0.90 IKBKB (0.81) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL2246915 0.86 KMT2A (0.84) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL10713802 0.86 KMT2A (0.84) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL3794862 0.86 IKBKB (0.76) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL5047743 0.85 IKBKB (0.74) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL5303404 0.85 IKBKB (0.73) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL3793566 0.85 IKBKB (0.73) IKBKBKDM4EKMT2AGFERRXFP1
SCHEMBL5332435 0.84 IKBKB (0.72) IKBKBACMSDHNF4ADHFRMCL1
SCHEMBL30595681 0.84 IKBKB (0.72) IKBKBACMSDHNF4ADHFRMCL1
SCHEMBL18020141 0.83 IKBKB (0.71) IKBKBKDM4EKMT2AGFERRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007025575-A1 O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
WO-2007025575-A1 O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 WO disclosed
WO-2007025575-A1 O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 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 (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-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 IKBKB 2033/4885KDM4E 2625/4885KMT2A 3328/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 IKBKB 2611/4885KDM4E 2606/4885KMT2A 1474/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 IKBKB 2033/4885KDM4E 2625/4885KMT2A 3328/4885

“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.