SCHEMBL182595

SCHEMBL182595

CCC(O)c1cc(Br)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.47
ADRA2C P18825 4/20 0.44
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
ADRA1A P35348 3/20 0.39
ADRA1B P35368 1/20 0.39
KCNH2 Q12809 1/20 0.37
FPR2 P25090 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
RAD52 P43351 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1145071 0.86 ADRA2C (0.41) PDE2AADRA2CADRA2AADRA2BADRA1A
SCHEMBL147207 0.85 PDE2A (0.60) PDE2AADRA2CADRA2AADRA2BADRA1A
SCHEMBL23729241 0.84 ADRA2C (0.41) PDE2AADRA2CADRA2AADRA2BADRA1A
SCHEMBL22632532 0.83 ADRA2C (0.40) ADRA2CADRA2AADRA2BADRA1AADRA1B
SCHEMBL953919 0.81 PDE2A (0.50) PDE2AADRA2CADRA2AADRA2BADRA1A
SCHEMBL3192828 0.80 ADRA2C (0.39) ADRA2CADRA2AADRA2BADRA1AADRA1B
SCHEMBL4171319 0.80 ADRA2C (0.42) ADRA2CADRA2AADRA2BADRA1AADRA1B
SCHEMBL15235824 0.79 TSHR (0.38) FPR2POLBLMNAMAPTNPSR1
SCHEMBL14244683 0.79 KCNH2 (0.50) PDE2AADRA2CADRA2AADRA2BADRA1A
SCHEMBL4179314 0.79 ADRA2C (0.38) ADRA2CADRA2AADRA2BADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233797-B1 MAP4K4 (HGK) INHIBITORS Sri int inc (US) 2019-05-08 EP disclosed
US-10000451-B2 MAP4K4 (HGK) inhibitors SRI INTERNATIONAL (US) 2018-06-19 US disclosed
US-20170320824-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2017-11-09 US disclosed
EP-3233797-A1 MAP4K4 (HGK) Inhibitors SRI International Inc. (US) 2017-10-25 EP disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 US disclosed
WO-2016114816-A1 MAP4K4 (HGK) Inhibitors SRI INTERNATIONAL (US) 2016-07-21 WO disclosed
EP-2297163-B1 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-08 EP disclosed
US-9073939-B2 Indazolyl-substituted dihydroisoxa-zolopyridines and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-07 US disclosed
WO-2010094405-A1 BI- AND TRICYCLIC INDAZOLE-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND USES THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-26 WO disclosed
WO-2009149836-A1 ANNELLATED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 WO disclosed
WO-2009149836-A1 ANNELLATED 4- (INDAZOLYL) -1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-17 WO disclosed
WO-2009144554-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS PFIZER, INC. (US) 2009-12-03 WO disclosed
EP-1720855-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
US-20070185152-A1 Inhibitors of akt activity SMITHKLINE BEECHAM CORPORATION 2007-08-09 US disclosed
EP-1720855-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005085227-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-09-15 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 (3 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-20070185152-A1 Inhibitors of akt activity AKT1, AKT1S1, AKT2 PDE2A 3525/4885ADRA2C 4767/4885ADRA2A 4756/4885
US-20170320824-A1 MAP4K4 (HGK) Inhibitors MAP4K4, MAP4K2, MAP4K3 PDE2A 2580/4885ADRA2C 2745/4885ADRA2A 3581/4885
US-10000451-B2 MAP4K4 (HGK) inhibitors MAP4K4, MAP4K2, MAP4K3 PDE2A 2580/4885ADRA2C 2745/4885ADRA2A 3581/4885

“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.