SCHEMBL16640379

SCHEMBL16640379

Fc1ccc(-c2cnccn2)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.48
FEN1 P39748 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPY5R Q15761 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
KMO O15229 2/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL2559473 0.84 KMO (0.49) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL2409087 0.84 PIM1 (0.46) ALOX5APFEN1RAB9ANPC1PIK3CD
SCHEMBL25326508 0.84 KMO (0.49) ALOX5APFEN1RAB9ANPC1PIK3CD
SCHEMBL21044391 0.84 ALOX5AP (0.51) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL22053021 0.84 ALOX5AP (0.45) ALOX5APFEN1RAB9ANPC1PIK3CD
SCHEMBL30112660 0.82 GRIN2B (0.48) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL18812089 0.80 ALOX5AP (0.43) ALOX5APFEN1RAB9ANPC1PIK3CD
SCHEMBL22040193 0.80 RPS6KA3 (0.46) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL30017655 0.80 ALDH1A1 (0.51) ALOX5APFEN1RAB9ANPC1ALDH1A1
SCHEMBL30017937 0.80 KDM1A (0.50) ALOX5APFEN1RAB9ANPC1PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-20170299530-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS, AND METHOD FOR QUANTITATING SACCHARIDE ACADEMIA SINICA (TW) 2017-10-19 US disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
US-20150168415-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS ACADEMIA SINICA (TW) 2015-06-18 US disclosed
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 WO disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US 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 (2 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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 ALOX5AP 1864/4885FEN1 3809/4885RAB9A 3719/4885
US-20150168415-A1 COMPOUNDS AND METHODS FOR ANALYSIS AND SYNTHESIS OF SACCHARIDE COMPOUNDS MPI, GPI, FUT6 ALOX5AP 4220/4885FEN1 3456/4885RAB9A 3641/4885

“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.