SCHEMBL15424474

SCHEMBL15424474

COCCNc1ncc(C(F)(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 1/20 0.41
KCNH3 Q9ULD8 3/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP3A4 P08684 3/20 0.40
CLK4 Q9HAZ1 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GLA P06280 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MAPT P10636 1/20 0.39
ACACB O00763 1/20 0.38
HCAR3 P49019 1/20 0.38

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
SCHEMBL12412535 0.84 KCNH3 (0.41) ULK1KCNH3CYP1A2CYP2C19CYP3A4
SCHEMBL18881735 0.83 AOC3 (0.41) HDAC3HDAC1HDAC2HDAC6MAPK1
SCHEMBL19447774 0.83 AOC3 (0.41) KDM4ETSHRHDAC3HDAC1HDAC2
SCHEMBL23025737 0.80 HDAC3 (0.38) CYP1A2HDAC3HDAC1HDAC2HDAC6
SCHEMBL18721796 0.80 L3MBTL1 (0.34) CYP1A2CYP2C19HDAC3HDAC1HDAC2
SCHEMBL21093216 0.78 PDE5A (0.46) KCNH3CYP1A2CYP2C19CYP3A4CLK4
SCHEMBL1256248 0.77 KCNH3 (0.44) KCNH3CYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL22627022 0.77 KCNH3 (0.44) KCNH3CYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL25075225 0.77 SYK (0.44) HDAC3HDAC1HDAC2HDAC6ALDH1A1
SCHEMBL21446944 0.76 LCK (0.41) CYP1A2CYP2C19HSD17B10GLAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825312-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Pharmasset LLC (US) 2021-05-26 EP disclosed
EP-3492464-A1 INTERMEDIATES FOR PREPARING INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2019-06-05 EP disclosed
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2017-11-02 US disclosed
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2017-10-12 US disclosed
US-9655944-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-05-23 US disclosed
EP-3159345-A1 INHIBITORS OF HEPATITIS C VIRUS Gilead Sciences, Inc. (US) 2017-04-26 EP disclosed
US-9617310-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2017-04-11 US disclosed
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2016-12-15 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. 2014-09-18 US disclosed
WO-2014145095-A1 MACROCYCLIC AND BICYCLIC INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-09-18 WO disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
WO-2014008285-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2014-01-09 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 (6 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-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ULK1 3960/4885KCNH3 2501/4885CYP1A2 156/4885
US-20170290827-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ULK1 4022/4885KCNH3 2061/4885CYP1A2 126/4885
US-20160361375-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ULK1 4022/4885KCNH3 2061/4885CYP1A2 126/4885
US-20140274884-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ULK1 3177/4885KCNH3 3289/4885CYP1A2 98/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 ULK1 4022/4885KCNH3 2061/4885CYP1A2 126/4885
US-20170313745-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, LIPC ULK1 3177/4885KCNH3 3289/4885CYP1A2 98/4885

“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.