SCHEMBL16373371

SCHEMBL16373371

Bc1nc2ncc(C)cc2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.39
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.35
AURKA O14965 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 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
SCHEMBL10813052 0.80 CYP1A2 (0.59) CYP1A2KDM4E
SCHEMBL17753581 0.80 TNKS (0.34) PARP1CYP1A2
SCHEMBL9838320 0.73 KDM4E (0.58) KDM4E
SCHEMBL1869453 0.68 HCAR2 (0.66) PARP1
SCHEMBL12235160 0.67 KDM4E (0.50) CYP1A2KDM4EAURKA
SCHEMBL24659326 0.67 SMN1; SMN2 (0.60) PARP1CYP1A2KDM4EAURKA
SCHEMBL31138368 0.65 KDM4E (0.39) PARP1CYP1A2KDM4ECCR1CCR5
SCHEMBL3256923 0.62 HTT (0.40) PARP1KDM4EAURKA
SCHEMBL13686508 0.62 DHFR (0.43) KDM4E
SCHEMBL15785416 0.62 PARP1 (0.37) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364482-B2 Substituted benzofuran compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2016-06-14 US disclosed
US-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2016-05-19 US disclosed
WO-2014205593-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014209727-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-12-31 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-20160136172-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES GTF3C5, HCCS, EIF2AK2 PARP1 1344/4885CYP1A2 332/4885KDM4E 1940/4885

“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.