SCHEMBL2707217

SCHEMBL2707217

CC(C)c1ccc2c(ccc3[nH]c(C(C)C)nc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
EIF4A3 P38919 3/20 0.38
MLKL Q8NB16 1/20 0.36
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL17973038 0.93 KIF11 (0.39) KIF11KDM4EHSD17B10LMNASCN10A
SCHEMBL18463009 0.84 CYP1A2 (0.42) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL13464855 0.84 KIF11 (0.41) KIF11KDM4ESCN10AALDH1A1EIF4A3
SCHEMBL20192419 0.81 GAA (0.40) KIF11KDM4ELMNASCN10AALDH1A1
SCHEMBL23105407 0.79 RAB9A (0.57) KIF11KDM4EHSD17B10LMNAALDH1A1
SCHEMBL10118791 0.75 SCN10A (0.43) KIF11KDM4EHSD17B10LMNASCN10A
SCHEMBL12808612 0.75 EIF4A3 (0.40) KIF11KDM4ELMNASCN10AALDH1A1
SCHEMBL889358 0.75 HSD17B10 (0.59) KIF11KDM4EHSD17B10LMNASCN10A
SCHEMBL17973037 0.75 KLK7 (0.31) SCN10A
SCHEMBL23775723 0.73 KIF11 (0.50) KIF11KDM4EHSD17B10LMNASCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407445-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-10 US disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-9796705-B2 Fused tricyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2017-10-24 US disclosed
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2016-08-04 US disclosed
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (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-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885KDM4E 2496/4885HSD17B10 3314/4885
US-10407445-B2 Hepatitis C virus inhibitors HAVCR2, SLC10A1, EIF2AK2 KIF11 3311/4885KDM4E 1173/4885HSD17B10 578/4885
US-20160222034-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KIF11 3311/4885KDM4E 1173/4885HSD17B10 578/4885
US-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 KIF11 2914/4885KDM4E 2635/4885HSD17B10 230/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KIF11 2163/4885KDM4E 2910/4885HSD17B10 615/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885KDM4E 2496/4885HSD17B10 3314/4885

“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.