SCHEMBL239054

SCHEMBL239054

COc1ccccc1-c1cc2cnc3cc(C)nn3c2nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 5/20 0.41
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FYN P06241 3/20 0.39
MEN1 O00255 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 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
SCHEMBL238176 0.86 MAOB (0.40) TSHRKDM4EALDH1A1GAAKMT2A
SCHEMBL238671 0.86 NPC1 (0.41) KDM4EPOLBALDH1A1GAAKMT2A
SCHEMBL238754 0.86 NPC1 (0.41) KDM4EPOLBALDH1A1MAPTKMT2A
SCHEMBL239018 0.84 NPC1 (0.40) POLBKMT2ATP53SMN1; SMN2L3MBTL1
SCHEMBL235500 0.84 KMT2A (0.40) KDM4EALDH1A1MAPTKMT2ATP53
SCHEMBL235881 0.82 RAB9A (0.48) TSHRKDM4EALDH1A1GAAMAPT
SCHEMBL240395 0.81 HSD11B1 (0.41) KMT2ATP53SMN1; SMN2MAPK1NPSR1
SCHEMBL238236 0.81 GABRA1 (0.42) KDM4EALDH1A1KMT2ATP53SMN1; SMN2
SCHEMBL239177 0.81 NPC1 (0.47) KDM4EALDH1A1MAPTKMT2ATP53
SCHEMBL237487 0.80 RXFP1 (0.43) KDM4EMAPTKMT2ATP53SMN1; SMN2

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 TSHR 3185/4885KDM4E 2166/4885POLB 1307/4885

“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.