SCHEMBL10173675

SCHEMBL10173675

Cc1ccc2c(c1)OCn1c-2c(F)c2cc(C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 4/20 0.38
MAOB P27338 5/20 0.33
PIK3CD O00329 1/20 0.33
CYP19A1 P11511 1/20 0.33
HSD17B10 Q99714 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 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
SCHEMBL17613183 0.91 PIK3CA (0.39) PIK3CAPIK3CBPIK3CGMAOBPIK3CD
SCHEMBL15806866 0.88 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGMAOBPIK3CD
SCHEMBL10217252 0.76 PIK3CA (0.38) PIK3CAPIK3CBPIK3CGPIK3CDHSD17B10
SCHEMBL19929298 0.71 GAA (0.41) KDM4EGAAMAPTMEN1TP53
SCHEMBL15804613 0.70 PIK3CA (0.34) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL903681 0.64 PIK3CA (0.34) PIK3CAPIK3CBPIK3CGPIK3CDHSD17B10
SCHEMBL792723 0.64 PRKCA (0.49) CYP19A1
SCHEMBL15806869 0.62 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGPIK3CDCYP19A1
SCHEMBL4067017 0.62 CYP19A1 (0.41) MAOBCYP19A1
SCHEMBL16369469 0.62 CYP19A1 (0.46) MAOBCYP19A1HSD17B10KDM4EGAA

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
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2015-09-03 US disclosed
US-9090661-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2015-07-28 US disclosed
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP. (US) 2014-12-18 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 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 (4 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CA 2253/4885PIK3CB 1306/4885PIK3CG 2075/4885
US-20140371138-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CA 2253/4885PIK3CB 1306/4885PIK3CG 2075/4885
US-20170008906-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CA 2253/4885PIK3CB 1306/4885PIK3CG 2075/4885
US-20150246917-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 PIK3CA 2253/4885PIK3CB 1306/4885PIK3CG 2075/4885

“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.