SCHEMBL14764939

SCHEMBL14764939

FC1COc2ccc(Br)cc2-c2cc3ccccc3n2C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
PIK3CA P42336 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CG P48736 4/20 0.36
PIK3CD O00329 2/20 0.36
APP P05067 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL14765120 0.86 CYP19A1 (0.41) CYP19A1DRD2DRD3PIK3CAPIK3CB
SCHEMBL14765173 0.79 PIK3CA (0.54) CYP19A1PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL14772064 0.77 CYP19A1 (0.34) CYP19A1DRD2DRD3PIK3CAPIK3CB
SCHEMBL14765069 0.76 PIK3CA (0.36) CYP19A1PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL14764813 0.75 APP (0.43) CYP19A1PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL14764945 0.72 PIK3CA (0.35) CYP19A1PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL14765013 0.72 PIK3CA (0.33) CYP19A1PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL17522841 0.68 PIK3CA (0.41) CYP19A1DRD2DRD3PIK3CAPIK3CB
SCHEMBL34463705 0.68 KMT2A (0.38) CYP19A1MEN1KMT2A
SCHEMBL21945848 0.64 CYP2A6 (0.33) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 CYP19A1 1341/4885DRD2 4872/4885DRD3 4852/4885

“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.