SCHEMBL5891307

SCHEMBL5891307

CCCC(C#N)(NC(C)=O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 4/20 0.39
RECQL P46063 1/20 0.39
TSHR P16473 2/20 0.36
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL11401927 0.80 PKM (0.43) PKMTHRBMEN1KMT2AMAPT
SCHEMBL11401924 0.78 PKM (0.39) PKMTHRBMEN1KMT2AMAPT
SCHEMBL7090829 0.76 PKM (0.40) PKMTHRBMEN1KMT2AMAPT
SCHEMBL14499239 0.75 KMT2A (0.45) PKMTHRBKMT2AL3MBTL1ALDH1A1
SCHEMBL13205219 0.75 PKM (0.39) PKMTHRBMEN1KMT2AMAPT
SCHEMBL10420886 0.74 HTT (0.43) PKMTHRBMEN1KMT2AMAPT
SCHEMBL14593304 0.74 PKM (0.79) PKMTHRBMEN1KMT2AMAPT
SCHEMBL7722774 0.72 MEN1 (0.52) PKMTHRBMEN1KMT2AMAPT
SCHEMBL16589953 0.71 PKM (0.54) PKMTHRBMEN1KMT2AMAPT
SCHEMBL9181204 0.70 MEN1 (0.50) PKMTHRBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7091203-B2 Imidazo[1,3,5]triazinones and their use BAYER HEALTHCARE AG (DE) 2006-08-15 US disclosed
US-20050043303-A1 Novel imidazo[1,3,5]triazinones and their use BAYER AKTIENGESELLSCHAFT (DE) 2005-02-24 US disclosed
US-20050043303-A1 Novel imidazo[1,3,5]triazinones and their use BAYER AKTIENGESELLSCHAFT (DE) 2005-02-24 US disclosed
US-20050043303-A1 Novel imidazo[1,3,5]triazinones and their use BAYER AKTIENGESELLSCHAFT (DE) 2005-02-24 US disclosed
US-6803365-B2 INHIBITORS OF CYCLIC GMP METABOLIZING PHOSPHODIESTERASES FOR TREATMENT OF UROGENITAL DISORDERS BAYER AKTLENGESELLSCHAFT (DE) 2004-10-12 US disclosed
US-20030195210-A1 Novel imidazo[1,3,5]triazinones and the use thereof BAYER AKTIENGESELLSCHAFT (DE) 2003-10-16 US disclosed
CN-1434825-A Imidazo [1,3,5] triazinones and uses thereof BAYER AG (DE) 2003-08-06 CN disclosed
EP-1244673-A2 NOVEL IMIDAZO 1,3,5]TRIAZINONES AND THE USE THEREOF Bayer Aktiengesellschaft (DE) 2002-10-02 EP disclosed
WO-2001047928-A2 IMIDAZO 1,3,5 TRIAZINONES AND THE USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2001-07-05 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 (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-20050043303-A1 Novel imidazo[1,3,5]triazinones and their use PDE7A, PDE3A, PDE4A PKM 1201/4885THRB 2847/4885MEN1 4014/4885
US-20030195210-A1 Novel imidazo[1,3,5]triazinones and the use thereof PDE3A, PDE5A, PDE3B PKM 762/4885THRB 2054/4885MEN1 2992/4885

“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.