SCHEMBL2113974

SCHEMBL2113974

CC(C)(C)[S+]([O-])N=Cc1cc2c(F)cc(F)cc2nc1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MPI P34949 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL2113971 1.00 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTMPI
SCHEMBL2113972 1.00 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTMPI
SCHEMBL2113976 1.00 KDM4E (0.33) KDM4EMEN1ALDH1A1MAPTMPI
SCHEMBL713698 0.81 GAA (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL713697 0.81 GAA (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL713696 0.81 GAA (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL713699 0.81 GAA (0.43) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17600984 0.79 CYP1A2 (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17600985 0.79 CYP1A2 (0.35) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL30296302 0.76 KDM4E (0.30) KDM4EKMT2A

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA KDM4E 3834/4885MEN1 3999/4885ALDH1A1 1059/4885

“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.