SCHEMBL15042847

SCHEMBL15042847

CC(C)c1cc2cnc3c(C(C)C)cccc3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
ADRA1A P35348 2/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1B P35368 1/20 0.34
RARA P10276 1/20 0.34
TNF P01375 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
LITAF Q99732 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 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
SCHEMBL15042876 0.78 GABRA1 (0.40) LMNATNFPDE4BPDE4DLITAF
SCHEMBL15042825 0.76 LMNA (0.36) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL15042846 0.75 KDM5A (0.33) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL12294451 0.74 LMNA (0.38) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL19485959 0.73 LMNA (0.38) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL17811226 0.73 DAO (0.40) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL19012503 0.70 LMNA (0.47) LMNAADRA2AADRA2BADRA2CADRA1A
SCHEMBL15042849 0.70 KIF11 (0.36) LMNAGABRA1GABRG2GABRB3GABRA5
SCHEMBL13561491 0.69 CYP1A2 (0.37) CYP1A2
SCHEMBL15042833 0.68 KCNN2 (0.38) LMNAGABRA1GABRB1GABRG2GABRB3

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 4 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

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 LMNA 1245/4885ADRA2A 4324/4885ADRA2B 4745/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L LMNA 705/4885ADRA2A 4821/4885ADRA2B 4838/4885

“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.