SCHEMBL2386220

SCHEMBL2386220

[O]C/C=C/CN1CCS(=O)(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL14656842 0.81 KMT2A (0.34) KMT2AMEN1CYP1A2CYP2C19NPC1
SCHEMBL27829991 0.78 KMT2A (0.35) KMT2AMEN1CYP1A2CYP2C19NPC1
SCHEMBL14666379 0.78 KMT2A (0.36) KMT2AMEN1CYP1A2CYP2C19NPC1
SCHEMBL20327298 0.77 KMT2A (0.34) KMT2AMEN1CYP1A2CYP2C19NPC1
SCHEMBL1466731 0.77 LTA4H (0.36) ALDH1A1
SCHEMBL1466734 0.77 LTA4H (0.36) ALDH1A1
SCHEMBL3401341 0.75 KMT2A (0.38) KMT2AMEN1CYP1A2CYP2C19NPC1
SCHEMBL10266555 0.73 KMT2A (0.37) KMT2AMEN1CYP1A2CYP2C19NPC1
SCHEMBL20334365 0.72 KMT2A (0.35) KMT2AMEN1NPC1ALDH1A1
SCHEMBL4417627 0.71 KDM4E (0.39) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP claimed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US claimed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 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-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 KMT2A 2030/4885MEN1 2031/4885CYP1A2 337/4885

“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.