SCHEMBL2006954

SCHEMBL2006954

CC(=NS(=O)(=O)c1cccc(C(=O)C(C(=O)c2cc(F)cc(F)c2)=C2Nc3ccccc3N2)c1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
PRSS3 P35030 2/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
GAA P10253 1/20 0.31
KAT6A Q92794 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL2006952 1.00 KMT2A (0.41) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2009836 0.86 F2 (0.40) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2007971 0.85 F2 (0.37) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2004431 0.83 MEN1 (0.44) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL2008662 0.83 F2 (0.41) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2007836 0.82 F2 (0.40) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2008888 0.82 GAA (0.37) KMT2AALDH1A1CES2CES1PKM
SCHEMBL2006935 0.82 F2 (0.39) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2010120 0.80 F2 (0.38) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2006868 0.80 KAT6A (0.33) KMT2AALDH1A1PKMMAPK1GAA

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
EP-1864976-B1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-10-10 EP disclosed
US-7960562-B2 Propane-1,3-dione derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-06-14 US disclosed
US-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof ASTELLAS PHARMA INC. 2009-07-16 US disclosed
EP-1864976-A1 PROPANE-1,3-DION DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2007-12-12 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 (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-20090181964-A1 Propane-1,3-Dione Derivative or Salt Thereof GNRHR, KISS1R, FSHR KMT2A 1359/4885F2 1765/4885PRSS1 802/4885

“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.