SCHEMBL15042846

SCHEMBL15042846

CC(C)c1cc2ncc3c(C(C)C)cccc3c2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.33
LMNA P02545 2/20 0.33
KDM5B Q9UGL1 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL19486057 0.82 PARP1 (0.34) KDM5ALMNAKDM5BCYP1A2CYP3A4
SCHEMBL15042889 0.78 PDK2 (0.35) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL15042847 0.75 LMNA (0.41) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL15042825 0.74 LMNA (0.36) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL15042854 0.71 KIF11 (0.36) KDM5ALMNAKDM5BADRA2AADRA2B
SCHEMBL12294488 0.71 ADORA3 (0.40) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL15042876 0.68 GABRA1 (0.40) LMNAGABRA1GABRB1GABRG2GABRB3
SCHEMBL27339103 0.67 GABRA1 (0.46) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL24371171 0.67 DHFR (0.42) LMNAFAAHCA1CA2CYP1A2
SCHEMBL17811226 0.67 DAO (0.40) LMNAADRA2AADRA2BADRA2CADRA1A

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KDM5A 1738/4885LMNA 1245/4885KDM5B 2252/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM5A 2796/4885LMNA 705/4885KDM5B 3145/4885

“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.