SCHEMBL3528638

SCHEMBL3528638

CC(C)C(=O)Nc1nc2c(c(-c3ccccc3Cl)n1)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK14 Q16539 2/20 0.37
PLA2G7 Q13093 1/20 0.37
MGLL Q99685 1/20 0.37
ABHD6 Q9BV23 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3528234 0.86 PRLHR (0.42) LMNAGAA
SCHEMBL116629 0.81 LMNA (0.47) MEN1KMT2AMAPK14LMNAGAA
SCHEMBL3527622 0.76 MAPK14 (0.43) MEN1KMT2AMAPK14LMNA
SCHEMBL169273 0.74 PDK2 (0.41) KMT2AABHD6LMNAGAA
SCHEMBL3433769 0.71 MAPT (0.42) LMNAGAA
SCHEMBL3434578 0.67 ALDH1A1 (0.47) MEN1KMT2AMAPK14LMNAGAA
SCHEMBL3434544 0.66 ABHD6 (0.53) ABHD6LMNAGAA
SCHEMBL3524088 0.66 LMNA (0.47) MEN1KMT2AMAPK14LMNAGAA
SCHEMBL15662612 0.66 P2RX7 (0.53) MAPK14LMNAGAA
SCHEMBL3524858 0.65 PDK2 (0.42) KMT2AABHD6

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-2424532-B1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-09-24 EP disclosed
US-8716302-B2 Compounds for inducing cellular apoptosis QUEEN MARY & WESTFIELD COLLEGE (GB) 2014-05-06 US disclosed
US-20120101115-A1 Compounds For Inducing Cellular Apoptosis QUEEN MARY AND WESTFIELD COLLEGE (GB) 2012-04-26 US disclosed
WO-2010125343-A1 COMPOUNDS FOR INDUCING CELLULAR APOPTOSIS QUEEN MARY AND WESTFIELD COLLEGE (GB) 2010-11-04 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 (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-20120101115-A1 Compounds For Inducing Cellular Apoptosis BAD, BAX, CASP3 MEN1 4188/4885KMT2A 3252/4885MAPK14 987/4885

“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.