SCHEMBL5667366

SCHEMBL5667366

COc1ccc(CNc2cc(C3CCN(Cc4ccccc4)C3)ccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SIRT6 Q8N6T7 1/20 0.48
MAPT P10636 5/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ACHE P22303 3/20 0.46
BACE1 P56817 3/20 0.46
BCHE P06276 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR6 P50406 2/20 0.46
HTT P42858 3/20 0.45
ALDH1A1 P00352 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
CHRM4 P08173 1/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL5668051 0.84 MEN1 (0.53) CCR5MEN1KMT2AACHEBACE1
SCHEMBL1546481 0.81 HTT (0.56) CCR5MEN1KMT2AMAPTACHE
SCHEMBL2771960 0.78 CCR5 (0.52) CCR5ALDH1A1SIGMAR1LMNA
SCHEMBL13634368 0.77 BLM (0.55) CCR5MEN1KMT2AMAPTNPSR1
SCHEMBL6474847 0.77 HTR6 (0.58) MEN1KMT2ASIRT6MAPTCYP1A2
SCHEMBL227405 0.77 MAPK1 (0.54) MEN1KMT2AMAPTCYP1A2CYP2C19
SCHEMBL6360566 0.77 SIGMAR1 (0.63) MEN1KMT2AACHEBACE1ALDH1A1
SCHEMBL16072033 0.76 MAPT (0.49) MEN1KMT2ASIRT6MAPTCYP1A2
SCHEMBL1546958 0.75 MAPK1 (0.49) MEN1KMT2AMAPTNPSR1ACHE
SCHEMBL4309629 0.74 MAPT (0.62) MEN1KMT2AMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7148224-B2 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-12 US disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 US disclosed
US-6914062-B2 Pyrazinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-05 US disclosed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis MSD K.K. (JP) 2003-10-30 US disclosed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP 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-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis CDK4, CDK6, CCNI CCR5 3111/4885MEN1 3495/4885KMT2A 672/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 CCR5 3055/4885MEN1 2552/4885KMT2A 550/4885

“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.