SCHEMBL17633665

SCHEMBL17633665

FC(F)(F)c1ccc(C2CNc3cccc(Br)c3N2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
HDAC11 Q96DB2 2/20 0.44
MEN1 O00255 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR2C P28335 4/20 0.38
HTR1A P08908 1/20 0.32
NOS1 P29475 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
ESR1 P03372 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17634134 0.85 PARP1 (0.53) PARP1PARP2HDAC11MEN1GAA
SCHEMBL14722038 0.80 PARP1 (0.67) PARP1PARP2HDAC11MEN1GAA
SCHEMBL17634115 0.77 PARP1 (0.56) PARP1PARP2HDAC11MEN1GAA
SCHEMBL17634239 0.74 MEN1 (0.44) PARP1PARP2HDAC11MEN1GAA
SCHEMBL17634284 0.74 PARP1 (0.50) PARP1PARP2HDAC11MEN1GAA
SCHEMBL17634154 0.74 PARP1 (0.50) PARP1PARP2HDAC11MEN1GAA
SCHEMBL17633802 0.72 MEN1 (0.40) PARP1PARP2MEN1GAAMAPT
SCHEMBL12696992 0.70 PARP1 (0.58) PARP1PARP2HDAC11MEN1GAA
SCHEMBL17634251 0.69 PARP1 (0.51) PARP1PARP2HDAC11MEN1GAA
SCHEMBL17634116 0.69 PARP1 (0.51) PARP1PARP2HDAC11MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
WO-2016049099-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
WO-2016045127-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 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-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 PARP1 2298/4885PARP2 1477/4885HDAC11 692/4885

“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.