SCHEMBL1940329

SCHEMBL1940329

N#Cc1cnc(O)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
METAP2 P50579 1/20 0.48
CYP19A1 P11511 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
AKT1 P31749 1/20 0.41
BACE1 P56817 1/20 0.41
MET P08581 1/20 0.40
MAP4K4 O95819 1/20 0.40
GABRA1 P14867 2/20 0.40
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 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
SCHEMBL7213440 0.81 AKT1 (0.56) PTGDR2METAP2CYP19A1L3MBTL1MAPK1
SCHEMBL16180643 0.79 DYRK1A (0.41) PTGDR2TSHRCYP1A2CYP3A4CYP2D6
Benzene SCHEMBL29266805 0.76 USP7 (0.59) BACE1MAP4K4
SCHEMBL28410815 0.74 METAP2 (0.43) PTGDR2METAP2CYP19A1L3MBTL1MAPK1
SCHEMBL3838001 0.73 AKT1 (0.53) METAP2AKT1ADORA1NPSR1
SCHEMBL18587832 0.73 MAOA (0.56) PTGDR2METAP2CYP19A1BACE1MEN1
SCHEMBL2571411 0.71 ALOX5 (0.55) PTGDR2CYP19A1BACE1TSHRMEN1
SCHEMBL3837608 0.70 AKT1 (0.58) PTGDR2METAP2CYP19A1AKT1TSHR
SCHEMBL30656042 0.70 ADORA2A (0.50) L3MBTL1AKT1GABRA1GABRG2GABRB3
SCHEMBL27241759 0.70 ALDH1A1 (0.65) L3MBTL1GABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP disclosed
EP-1622616-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2011-06-15 EP disclosed
EP-1631548-B1 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-10-28 EP disclosed
EP-1631548-B1 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-10-28 EP disclosed
US-7579355-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-25 US disclosed
US-7579355-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-08-25 US disclosed
US-7414055-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-08-19 US disclosed
US-7414055-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2008-08-19 US disclosed
EP-1631548-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2007-10-31 EP disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 US disclosed
US-20060270673-A1 Inhibitors of akt activity MERCK & CO., INC. (US) 2006-11-30 US disclosed
EP-1631548-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-03-08 EP disclosed
EP-1622616-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-02-08 EP disclosed
WO-2004096135-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 WO disclosed
WO-2004096131-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 WO 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 (2 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-20060270673-A1 Inhibitors of akt activity AKT1, AKT2, AKT3 PTGDR2 4460/4885METAP2 2343/4885CYP19A1 2479/4885
US-20070043001-A1 Inhibitors of akt activity MTMR1, PIK3CA, PLK1 PTGDR2 4561/4885METAP2 1305/4885CYP19A1 2618/4885

“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.