SCHEMBL17634154

SCHEMBL17634154

FC(F)(F)c1ccc(C2CNc3cc(Br)ccc3N2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
MEN1 O00255 4/20 0.36
GAA P10253 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR2C P28335 3/20 0.36
HDAC11 Q96DB2 1/20 0.34
KDM4E B2RXH2 2/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL17634284 0.94 PARP1 (0.50) PARP1PARP2MEN1GAAMAPT
SCHEMBL17634251 0.84 PARP1 (0.51) PARP1PARP2MEN1GAAMAPT
SCHEMBL14722038 0.81 PARP1 (0.67) PARP1PARP2MEN1GAAMAPT
SCHEMBL17634116 0.79 PARP1 (0.51) PARP1PARP2MEN1GAAMAPT
SCHEMBL17634290 0.77 MEN1 (0.44) PARP1PARP2MEN1GAAMAPT
SCHEMBL17633652 0.76 MEN1 (0.43) PARP1PARP2MEN1GAAMAPT
SCHEMBL17633657 0.74 ESR2 (0.43) MEN1GAAMAPTKMT2AALDH1A1
SCHEMBL17634185 0.74 CYP1A2 (0.40) PARP1PARP2MEN1KMT2AHTR2C
SCHEMBL17633665 0.74 PARP1 (0.52) PARP1PARP2MEN1GAAMAPT
SCHEMBL17633723 0.73 MEN1 (0.34) PARP1PARP2MEN1GAAMAPT

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-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
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-2016049099-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 1477/4885MEN1 4300/4885

“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.