SCHEMBL6015104

SCHEMBL6015104

COc1ccccc1C1=NN(c2ccccc2Br)C(O)N(c2ccccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PDE5A O76074 1/20 0.36
CYP1A2 P05177 1/20 0.36
USP2 O75604 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6015114 0.82 TACR3 (0.41) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL27598154 0.76 PDCD1 (0.48) PDCD1CD274ALDH1A1KDM4EHSD17B10
SCHEMBL4043112 0.76 CD274 (0.58) PDCD1CD274ALDH1A1KDM4EHSD17B10
SCHEMBL27735022 0.68 MMP2 (0.36) PDCD1CD274KDM4ETSHRCYP2C19
SCHEMBL27735005 0.67 MEN1 (0.34) PDCD1CD274MEN1KMT2A
SCHEMBL27861678 0.65 MEN1 (0.37) PDCD1CD274ALDH1A1KDM4EHSD17B10
SCHEMBL27861623 0.65 MEN1 (0.39) ALDH1A1KDM4EHSD17B10TSHRHPGD
SCHEMBL6294124 0.65 ESD (0.52) PDCD1CD274ALDH1A1KDM4EHPGD
SCHEMBL4050443 0.64 PDCD1 (0.48) PDCD1CD274ALDH1A1KDM4EHSD17B10
SCHEMBL27844385 0.64 PDCD1 (0.46) PDCD1CD274ALDH1A1KDM4EHSD17B10

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-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-08-24 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-20060189622-A1 Pyridazinone and triazinone compounds and use thereof as pharmaceutical preparations GRIK3, GRIK1, GRIK2 PDCD1 3741/4885CD274 3053/4885ALDH1A1 2206/4885

“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.