SCHEMBL237487

SCHEMBL237487

COc1cccc(-c2cc3cnc4cc(C)nn4c3nc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FYN P06241 6/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CRHR1 P34998 1/20 0.39
TGFBR2 P37173 1/20 0.38
EGLN2 Q96KS0 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL239177 0.88 NPC1 (0.47) KDM4EHSD17B10MAPTTDP1MEN1
SCHEMBL238654 0.87 MAOB (0.41) KDM4ELMNAHSD17B10MAPTFYN
SCHEMBL239031 0.86 NPC1 (0.51) LMNAMAPTFYNMEN1NPC1
SCHEMBL238620 0.86 NPC1 (0.43) KDM4EMAPTMEN1NPC1TP53
SCHEMBL235881 0.85 RAB9A (0.48) KDM4EHSD17B10MAPTMEN1NPC1
SCHEMBL238551 0.84 NPC1 (0.41) FYNMEN1NPC1TP53HPGD
SCHEMBL236118 0.84 NPC1 (0.41) KDM4EHSD17B10FYNMEN1NPC1
SCHEMBL240488 0.82 KMT2A (0.39) LMNAHSD17B10MAPTTDP1MEN1
SCHEMBL236385 0.81 DYRK3 (0.43) MAPTFYNMEN1NPC1TP53
SCHEMBL238571 0.80 NPC1 (0.61) KDM4ELMNAHSD17B10MAPTMEN1

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 RXFP1 4809/4885KDM4E 2166/4885LMNA 2724/4885

“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.