SCHEMBL14764672

SCHEMBL14764672

O=C(Nc1c(F)cccc1F)c1ccnc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PDE4D Q08499 4/20 0.49
RAB9A P51151 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
IGF1R P08069 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
NPC1 O15118 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPK14 Q16539 1/20 0.41
TYK2 P29597 1/20 0.41
HDAC1 Q13547 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL14771399 0.82 ALDH1A1 (0.35) ALDH1A1PDE4DRAB9AKMT2AMAPK14
SCHEMBL14774182 0.80 ALDH1A1 (0.33) ALDH1A1PDE4DRAB9AKMT2AHDAC1
SCHEMBL17784010 0.79 CA12 (0.46) RAB9ANPC1HDAC1CA12CA9
SCHEMBL17803595 0.78 RAB9A (0.57) ALDH1A1RAB9ANPC1CA12CA9
SCHEMBL15238338 0.77 LMNA (0.62) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL25306343 0.76 CA12 (0.53) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL17803485 0.75 NPC1 (0.60) RAB9AMEN1KMT2ANPC1
SCHEMBL15527872 0.74 TP53 (0.57) ALDH1A1PDE4DRAB9AMEN1KMT2A
SCHEMBL15238366 0.74 KCNK3 (0.67) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL15238350 0.74 MAPT (0.68) RAB9AMEN1KMT2ARXFP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2753618-B1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
EP-2753618-B1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-04-11 EP disclosed
US-9549917-B2 Heterocyclic-substituted benzofuran derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-9549917-B2 Heterocyclic-substituted benzofuran derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-9549917-B2 Heterocyclic-substituted benzofuran derivatives and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
US-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-17 US disclosed
WO-2013033901-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034047-A1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013033901-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
WO-2013034047-A1 HETEROCYCLIC-SUBSTITUED BENZOFURAN DERIVATIVES 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 (1 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-20140199263-A1 HETEROCYCLIC-SUBSTITUTED BENZOFURAN DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, GTF3C5, EIF5B ALDH1A1 341/4885PDE4D 3678/4885RAB9A 2620/4885

“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.