SCHEMBL239713

SCHEMBL239713

Cc1nn2c(ncc3cc(-c4ccccc4)c(-c4ccc(C5(N6C(=O)c7ccccc7C6=O)CC(O)(C6CC6)C5)cc4)nc32)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AKT1 P31749 15/20 0.35
AKT2 P31751 13/20 0.35
NTRK1 P04629 2/20 0.35
PIM1 P11309 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ACVR1 Q04771 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
SCHEMBL239714 1.00 KDM4E (0.36) KDM4ESMN1; SMN2ALOX15HSD17B10AKT1
SCHEMBL239066 0.91 KDM4E (0.38) KDM4ESMN1; SMN2ALOX15HSD17B10AKT1
SCHEMBL239065 0.91 KDM4E (0.38) KDM4ESMN1; SMN2ALOX15HSD17B10AKT1
SCHEMBL2755186 0.89 AKT1 (0.37) AKT1AKT2
SCHEMBL237191 0.89 AKT1 (0.37) AKT1AKT2
SCHEMBL238511 0.89 AKT1 (0.37) AKT1AKT2
SCHEMBL2755125 0.89 AKT1 (0.37) AKT1AKT2
SCHEMBL236297 0.86 AKT1 (0.48) AKT1AKT2
SCHEMBL2755140 0.86 AKT1 (0.48) AKT1AKT2
SCHEMBL236298 0.86 AKT1 (0.48) AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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-20120004240-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3R5 KDM4E 2166/4885SMN1; SMN2 3442/4885ALOX15 4458/4885

“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.