SCHEMBL239065

SCHEMBL239065

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
NTRK1 P04629 2/20 0.37
PIM1 P11309 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
AKT1 P31749 12/20 0.34
AKT2 P31751 10/20 0.34
ACVR1 Q04771 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL239066 1.00 KDM4E (0.38) KDM4EHSD17B10SMN1; SMN2ALOX15NTRK1
SCHEMBL239714 0.91 KDM4E (0.36) KDM4EHSD17B10SMN1; SMN2ALOX15NTRK1
SCHEMBL239713 0.91 KDM4E (0.36) KDM4EHSD17B10SMN1; SMN2ALOX15NTRK1
SCHEMBL2755366 0.88 AKT1 (0.35) AKT1AKT2
SCHEMBL234893 0.88 AKT1 (0.35) AKT1AKT2
SCHEMBL234894 0.88 AKT1 (0.35) AKT1AKT2
SCHEMBL10286862 0.88 SMN1; SMN2 (0.34) KDM4EHSD17B10SMN1; SMN2ALOX15NTRK1
SCHEMBL234639 0.87 KDM4D (0.37) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL234638 0.87 KDM4D (0.37) KDM4EHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL234825 0.86 AKT1 (0.47) NTRK1PIM1AKT1AKT2

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 2166/4885HSD17B10 2830/4885SMN1; SMN2 3442/4885

“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.