SCHEMBL7600350

SCHEMBL7600350

Brc1ccc2nc(C3CCCC3)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.66
NPC1 O15118 1/20 0.66
KDM4E B2RXH2 1/20 0.64
MAPT P10636 1/20 0.64
GFER P55789 1/20 0.64
NPY5R Q15761 1/20 0.55
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
ALDH1A1 P00352 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR4 P22455 1/20 0.46
FGFR3 P22607 1/20 0.46
LMNA P02545 3/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL10144872 0.88 NPC1 (0.59) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL17048070 0.87 NPC1 (0.54) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL15205690 0.86 NPY5R (0.52) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL15205692 0.86 NPY5R (0.52) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL7600454 0.84 RAB9A (0.49) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL14192726 0.84 RAB9A (0.52) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL15585625 0.81 SCN10A (0.61) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL22091286 0.81 MAPT (0.94) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL30390480 0.80 NPY5R (0.45) RAB9ANPC1KDM4EMAPTGFER
SCHEMBL15206036 0.80 CYP2D6 (0.51) RAB9ANPC1KDM4EMAPTGFER

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-9416139-B2 Spiro ring compound as hepatitis C virus (HCV) inhibitor and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-16 US disclosed
US-9309231-B2 Bridged ring compounds as hepatitis C virus (HCV) inhibitors and pharmaceutical applications thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-04-12 US disclosed
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-10-29 US disclosed
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-08-20 US disclosed
US-20150203474-A1 SOLID FORMS COMPRISING INHIBITORS OF HCV NS5A, COMPOSITIONS THEREOF, AND USES THEREWITH PRESIDIO PHARMACEUTICALS, INC. 2015-07-23 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20120040977-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 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 (14 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885KDM4E 2496/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885KDM4E 2496/4885
US-20150232509-A1 SPIRO RING COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS HAVCR2, SLC10A1, SORD RAB9A 1291/4885NPC1 47/4885KDM4E 4762/4885
US-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1313/4885NPC1 119/4885KDM4E 4063/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885KDM4E 2496/4885
US-20120040977-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885NPC1 122/4885KDM4E 4113/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC RAB9A 1550/4885NPC1 40/4885KDM4E 3963/4885
US-20150307509-A1 FUSED RING COMPOUNDS AS HEPATITIS C VIRUS INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CUL4A, GTF3C4, HAVCR2 RAB9A 1063/4885NPC1 697/4885KDM4E 1387/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 RAB9A 1694/4885NPC1 516/4885KDM4E 2496/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885NPC1 122/4885KDM4E 4113/4885
US-20150203474-A1 SOLID FORMS COMPRISING INHIBITORS OF HCV NS5A, COMPOSITIONS THEREOF, AND USES THEREWITH ABL1, HAVCR2, MAVS RAB9A 1087/4885NPC1 346/4885KDM4E 3732/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885NPC1 122/4885KDM4E 4113/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 RAB9A 1482/4885NPC1 122/4885KDM4E 4113/4885
US-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 RAB9A 1607/4885NPC1 368/4885KDM4E 2130/4885

“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.