SCHEMBL610902

SCHEMBL610902

N#Cc1ccc(-c2ccccc2C=O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.42
CHEK1 O14757 2/20 0.41
EGLN2 Q96KS0 1/20 0.40
PDE10A Q9Y233 3/20 0.39
VHL P40337 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
CTSA P10619 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNB3 Q05901 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL26635296 0.80 XDH (0.47) XDHCHEK1EGLN2PDE10AVHL
SCHEMBL30540161 0.80 XDH (0.47) XDHCHEK1EGLN2PDE10AVHL
SCHEMBL10390336 0.75 PDE10A (0.44) CHEK1EGLN2PDE10AVHLCTSA
SCHEMBL2744983 0.75 XDH (0.47) XDHMEN1LMNATHRBBLM
SCHEMBL20646152 0.73 CHEK1 (0.42) CHEK1EGLN2PDE10AVHLLMNA
SCHEMBL2553924 0.73 P4HTM (0.44) XDHLMNA
SCHEMBL30497064 0.73 LMNA (0.60) XDHMEN1LMNATHRBBLM
SCHEMBL11768743 0.73 LMNA (0.60) XDHMEN1LMNATHRBBLM
SCHEMBL70602 0.72 CHEK1 (0.63) CHEK1EGLN2TDP1CTSAKCNA5
SCHEMBL31588411 0.72 CHEK1 (0.63) CHEK1EGLN2TDP1CTSAKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3808740-A1 ORAL DOSAGE FORMS COMPRISING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE TerSera Therapeutics LLC (US) 2021-04-21 EP disclosed
EP-3176159-B1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2020-10-21 EP disclosed
EP-2091940-B3 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-12-06 EP disclosed
EP-3176159-A1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2017-06-07 EP disclosed
EP-2589600-B1 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds and methods of their use LEXICON PHARMACEUTICALS INC (US) 2017-02-15 EP disclosed
EP-2091940-B1 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2015-12-09 EP disclosed
CN-104045626-A Compounds based on 4-phenyl-6-(2,2,2-trifluoro-1-phenyl ethoxy) pyrimidine and application method thereof LEXICON PHARMACEUTICALS INC 2014-09-17 CN disclosed
US-8772482-B2 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
CN-101591332-B compounds based on 4-phenyl-6- (2,2, 2-trifluoro-1-phenylethoxy) pyrimidine and methods of use thereof LEXICON PHARMACEUTICALS INC 2014-04-16 CN disclosed
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE LEXICON PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-7968559-B2 Methods of using 4-phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-based compounds LEXICON PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2011056916-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF CANCER LEXICON PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-20100311764-A1 Methods of using 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds TERSERA THERAPEUTICS LLC 2010-12-09 US disclosed
US-7709493-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester LEXICON PHARMACEUTICALS, INC. (US) 2010-05-04 US disclosed
CN-101591332-A Compounds based on 4-phenyl-6- (2,2, 2-trifluoro-1-phenylethoxy) pyrimidine and methods of use thereof LAIXIKEN MEDICATION CO LTD (US) 2009-12-02 CN disclosed
US-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TERSERA THERAPEUTICS LLC 2009-11-19 US disclosed
EP-2091940-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2009-08-26 EP disclosed
US-7553840-B2 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders LEXICON PHARMACEUTICALS, INC. (US) 2009-06-30 US disclosed
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TERSERA THERAPEUTICS LLC 2008-06-26 US disclosed
WO-2008073933-A2 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2008-06-19 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 (4 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-20090286817-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders; (S)-2-amino-3-[4-(2-amino-6-{R-1-[4-chloro-2-(3-methyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethoxy}-pyrimidin-4-yl)-phenyl]-propionic acid ethyl ester TPH1, TPH2, PAH XDH 184/4885CHEK1 3638/4885EGLN2 117/4885
US-20080153852-A1 Tryptophan hydroxylase inhibitors; anticarcinogenic agents; gastrointestinal, cardiovascular, and respiratory system disorders TPH1, TPH2, MAOA XDH 31/4885CHEK1 2667/4885EGLN2 197/4885
US-20130137635-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS FOR THE TREATMENT OF METASTATIC BONE DISEASE TPH1, TPH2, IDO1 XDH 167/4885CHEK1 4029/4885EGLN2 20/4885
US-20100311764-A1 Methods of using 4-Phenyl-6-(2,2,2-trifluoro-1-phenylethoxy)pyrimidine-Based Compounds TPMT, PYGL, DPYD XDH 41/4885CHEK1 1195/4885EGLN2 562/4885

“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.