SCHEMBL14765302

SCHEMBL14765302

CCOC(=O)C1Oc2ccc(Cl)nc2C2Cc3c(F)cccc3N12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CCKAR P32238 1/20 0.32

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
SCHEMBL14765043 0.86 MAPK1 (0.36) SMN1; SMN2KDM4EALDH1A1GAAALOX15
SCHEMBL17522876 0.79 TNKS2 (0.34) SMN1; SMN2KDM4E
SCHEMBL14765109 0.74 MEN1 (0.33) KMT2AMEN1GAATP53
SCHEMBL14764878 0.69 KDM4E (0.35) POLBTSHRSMN1; SMN2KDM4E
SCHEMBL21013664 0.67 SMN1; SMN2 (0.33) SMN1; SMN2KDM4EALDH1A1
SCHEMBL14407230 0.61 TSHR (0.39) POLBTSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL196131 0.60 HPGD (0.61) POLBTSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL23856566 0.60 KDM4E (0.48) POLBTSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL30049087 0.60 KDM4E (0.48) POLBTSHRSMN1; SMN2KDM4EKMT2A
SCHEMBL28416215 0.59 KDM4E (0.38) POLBTSHRSMN1; SMN2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2953462-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-08 EP disclosed
EP-2753325-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-9265773-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-02-23 US disclosed
US-9242998-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9242998-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-9242998-B2 Tetracyclic heterocycle compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150368265-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME LLC 2015-12-24 US disclosed
US-20150368265-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME LLC 2015-12-24 US disclosed
US-20150368265-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME LLC 2015-12-24 US disclosed
EP-2953462-A2 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2015-12-16 EP disclosed
WO-2014121418-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014121418-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014123795-A2 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
WO-2014123795-A2 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-31 US disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 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-20150368265-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CYP7A1 POLB 285/4885TSHR 4143/4885SMN1; SMN2 4219/4885
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 POLB 219/4885TSHR 4266/4885SMN1; SMN2 3627/4885

“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.