SCHEMBL13560751

SCHEMBL13560751

CC(C)c1ccc2c(c1)C1(CCC1)c1[nH]c(C(C)C)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
HPGD P15428 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
KARS1 Q15046 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL15042896 0.97 PDK2 (0.36) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL13560753 0.94 PDK2 (0.38) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL13561510 0.86 PDK2 (0.30) PDK2
SCHEMBL13561492 0.86 LMNA (0.37) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL13560738 0.81 KDM4E (0.36) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL13561601 0.80 LMNA (0.39) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL13561591 0.80 PDK2 (0.31) PDK2CYP3A4CYP2C19
SCHEMBL13560752 0.80 PDK2 (0.39) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL15042898 0.78 PDK2 (0.41) PDK2HPGDGFERHSD17B10LMNA
SCHEMBL15042843 0.78 KDM4E (0.36) PDK2HPGDGFERHSD17B10LMNA

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-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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS SCHERING CORPORATION 2013-06-20 US disclosed
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 US disclosed
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES SCHERING CORPORATION 2012-11-01 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 (3 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-20130156731-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEAS HAVCR2, ELOC, ZC3HAV1 PDK2 3587/4885HPGD 984/4885GFER 2397/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L PDK2 3104/4885HPGD 3077/4885GFER 4725/4885
US-20120276047-A1 FUSED TRICYCLIC COMPOUNDS AND DERIVATIVES THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L PDK2 3043/4885HPGD 3104/4885GFER 4794/4885

“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.