SCHEMBL26686334

SCHEMBL26686334

O=C(NCc1ccccc1)Nc1cc(Br)ccn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RIOK2 Q9BVS4 1/20 0.53
MAPK1 P28482 6/20 0.51
NTRK1 P04629 1/20 0.51
EGFR P00533 1/20 0.50
HTT P42858 1/20 0.50
KDR P35968 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48
KIT P10721 1/20 0.48
BRAF P15056 1/20 0.48
IMPDH2 P12268 1/20 0.47
MEN1 O00255 1/20 0.47
NR3C2 P08235 1/20 0.47
CFD P00746 1/20 0.47

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
SCHEMBL26686613 0.86 MAPK1 (0.52) HDAC1RIOK2MAPK1NTRK1ROCK2
SCHEMBL1269265 0.83 HDAC1 (0.51) HDAC1HDAC6MAPK1HTTKDR
SCHEMBL13043668 0.83 HDAC1 (0.51) HDAC1HDAC6MAPK1HTTKDR
SCHEMBL14302228 0.81 NAMPT (0.62) HTTKDRROCK2ROCK1
SCHEMBL1553776 0.80 RIOK2 (0.74) RIOK2KMT2AMEN1
SCHEMBL1269593 0.80 RAB9A (0.60) MAPK1KMT2AMEN1
SCHEMBL31241108 0.80 RAB9A (0.60) MAPK1KMT2AMEN1
SCHEMBL1505643 0.80 JAK2 (0.54) HDAC1HDAC6RIOK2MAPK1NTRK1
SCHEMBL30367058 0.78 RAB9A (0.61) HDAC6RIOK2HTTKMT2AMEN1
SCHEMBL16041099 0.77 NOS2 (0.66) MAPK1HTTKMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304576-A1 IKK INHIBITORS CANCER RESEARCH TECH LTD (GB) 2025-10-02 US disclosed
EP-4522597-A1 IKK INHIBITORS Cancer Research Technology Limited (GB) 2025-03-19 EP disclosed
CN-119562945-A IKK inhibitors 癌症研究技术有限公司 2025-03-04 CN disclosed
WO-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 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-20250304576-A1 IKK INHIBITORS NFKBIA, IKBKE, IKBKB HDAC1 457/4885HDAC6 1315/4885RIOK2 686/4885

“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.