SCHEMBL1371663

SCHEMBL1371663

FC(F)(F)c1ccc2cc[c]cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
METAP2 P50579 1/20 0.38
PTPN1 P18031 4/20 0.36
PTPN5 P54829 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
SCN4A P35499 1/20 0.33
CES2 O00748 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ESR1 P03372 1/20 0.32
CYBB P04839 1/20 0.32
NOX3 Q9HBY0 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
NFKBIA P25963 1/20 0.31

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
SCHEMBL1370905 0.92 BACE1 (0.42) BACE1METAP2PTPN1PTPN5KDM4E
SCHEMBL1371102 0.80 ALDH1A1 (0.38) KDM4EMEN1KMT2ATSHRRELA
SCHEMBL7588186 0.75 BACE1 (0.56) BACE1METAP2PTPN1PTPN5KDM4E
SCHEMBL208641 0.72 CYP1A2 (0.50) BACE1
SCHEMBL1368737 0.72 ALDH1A1 (0.38) KDM4EMEN1KMT2ATSHRMAPK1
SCHEMBL5541794 0.72 GPR3 (0.41) KDM4EPIM1KMT2AEPHX2SCN4A
SCHEMBL1538767 0.72 PTPN1 (0.59) BACE1METAP2PTPN1KDM4ETSHR
SCHEMBL30985267 0.72 PTPN1 (0.59) BACE1METAP2PTPN1KDM4ETSHR
SCHEMBL30706974 0.72 PTPN1 (0.59) BACE1METAP2PTPN1KDM4ETSHR
SCHEMBL12895896 0.71 BACE1 (0.52) BACE1METAP2PTPN1PTPN5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US claimed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US claimed
EP-2818462-B1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMISCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORP (JP) 2017-11-08 EP disclosed
US-9624193-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2017-04-18 US disclosed
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP disclosed
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT TOSOH CORPORATION (JP) 2015-11-19 US disclosed
US-9120773-B2 Cyclic azine derivatives, processes for producing these, and organic electroluminescent element containing these as component TOSOH CORPORATION (JP) 2015-09-01 US disclosed
CN-103180305-B Production method for epoxy alcohol compound SUMITOMO CHEMICAL CO 2015-01-14 CN disclosed
EP-2818462-A1 Cyclic azine derivatives, processes for producing these, and organic electrolumiscent element containing these as component TOSOH CORPORATION (JP) 2014-12-31 EP disclosed
EP-2361909-B1 1,3,5-TRIAZINE DERIVATIVE, PROCESS FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME TOSOH CORP (JP) 2014-09-10 EP disclosed
EP-2746271-A1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules Tosoh Corporation (JP) 2014-06-25 EP disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-1640360-A1 AMIDES AND METHOD FOR PLANT DISEASE CONTROL WITH THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-03-29 EP disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP disclosed
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 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 (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-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN BACE1 878/4885METAP2 354/4885PTPN1 2526/4885
US-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 BACE1 370/4885METAP2 113/4885PTPN1 2816/4885
US-20150329544-A1 CYCLIC AZINE DERIVATIVES, PROCESSES FOR PRODUCING THESE, AND ORGANIC ELECTROLUMINESCENT ELEMENT CONTAINING THESE AS COMPONENT CPNE4, EPB41, AZI2 BACE1 3728/4885METAP2 4396/4885PTPN1 1239/4885

“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.