SCHEMBL4734872

SCHEMBL4734872

O=C(O)NC1(c2ccc(C(=O)Cc3ccccc3)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SRD5A2 P31213 2/20 0.48
S1PR5 Q9H228 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STS P08842 1/20 0.42
EPHX2 P34913 1/20 0.41
PLAU P00749 2/20 0.40
KMT2A Q03164 1/20 0.39
SSTR4 P31391 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
GRM1 Q13255 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRB2 P07550 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
SCHEMBL13254898 0.97 MAPT (0.49) MAPTL3MBTL1SRD5A2S1PR5KDM4E
SCHEMBL2287562 0.94 MAPT (0.51) MAPTL3MBTL1SRD5A2S1PR5KDM4E
SCHEMBL3833565 0.88 DRD2 (0.40) L3MBTL1NPC1RAB9AKMT2AHRH2
SCHEMBL361871 0.83 AKT1 (0.42) MAPTL3MBTL1SRD5A2S1PR5STS
SCHEMBL14876685 0.83 L3MBTL1 (0.46) MAPTL3MBTL1SRD5A2S1PR5KDM4E
SCHEMBL14876686 0.83 L3MBTL1 (0.46) MAPTL3MBTL1SRD5A2S1PR5KDM4E
SCHEMBL3836833 0.81 CES2 (0.48) RAB9ASSTR4HDAC3HDAC1HDAC2
SCHEMBL3617282 0.81 MAPT (0.43) MAPTL3MBTL1SRD5A2S1PR5KDM4E
SCHEMBL12583792 0.80 L3MBTL1 (0.41) MAPTL3MBTL1SRD5A2S1PR5STS
SCHEMBL2712662 0.80 SSTR4 (0.53) KDM4ESSTR4ALDH1A1HTTHDAC3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9604989-B2 Imidazopyridazines as Akt kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-03-28 US disclosed
EP-2802586-B1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS BAYER IP GMBH (DE) 2016-05-25 EP disclosed
US-9260435-B2 Substituted imidazopyrazines as Akt kinase inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-16 US disclosed
US-20150368250-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-24 US disclosed
US-9206185-B2 Imidazopyridazines as Akt kinase inhibitors BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
EP-2694510-B1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER IP GMBH (DE) 2015-10-14 EP disclosed
EP-2406250-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2015-08-12 EP disclosed
US-20150005309-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 US disclosed
EP-2802586-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-11-19 EP disclosed
EP-2104669-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
EP-2694510-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS Bayer Intellectual Property GmbH (DE) 2014-02-12 EP disclosed
US-8614221-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2013-12-24 US disclosed
US-8536193-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2013-09-17 US disclosed
EP-2299825-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
WO-2013104610-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 WO disclosed
EP-2516435-A1 INHIBITORS OF AKT ACTIVITY Almac Discovery Limited (GB) 2012-10-31 EP disclosed
US-8288407-B2 Substituted naphthyridine compounds as inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
WO-2012136776-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-11 WO disclosed
WO-2011077098-A9 INHIBITORS OF AKT ACTIVITY ALMAC DISCOVERY LIMITED (GB) 2012-04-19 WO disclosed
WO-2008070041-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2008-06-12 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-20150368250-A1 IMIDAZOPYRIDAZINES AS AKT KINASE INHIBITORS PI4KA, PI4KB, PIK3CD MAPT 2976/4885L3MBTL1 4547/4885SRD5A2 1972/4885
US-20150005309-A1 SUBSTITUTED IMIDAZOPYRAZINES AS AKT KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA MAPT 2946/4885L3MBTL1 4715/4885SRD5A2 2289/4885

“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.