SCHEMBL238224

SCHEMBL238224

CCOC(=O)c1c(C)nc2cc(C3CC3)nn2c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
GRK6 P43250 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
CSNK1D P48730 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PDE4D Q08499 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL239438 0.84 MAPK1 (0.48) MAPK1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL238676 0.80 MAPK1 (0.44) MAPK1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL239039 0.79 NPC1 (0.63) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL239828 0.75 NPC1 (0.37) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL236798 0.75 NPC1 (0.61) KDM4EHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL3762875 0.73 KDM4E (0.46) KDM4EHSD17B10SMN1; SMN2LMNAHPGD
SCHEMBL2363430 0.73 FAAH (0.49) PLATMAPK1KDM4EHSD17B10SMN1; SMN2
SCHEMBL239388 0.73 PDE4A (0.49) MAPK1KDM4EHSD17B10SMN1; SMN2MEN1
SCHEMBL237634 0.73 NPC1 (0.37) PLATKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2755156 0.71 HPGD (0.48) KDM4EHSD17B10MEN1KMT2AHPGD

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 6 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
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
US-20120004240-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2012-01-05 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 PLAT 1906/4885MAPK1 171/4885KDM4E 2166/4885

“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.