Sugi Predict

Sugi Predict / Compounds / SCHEMBL15042876

SCHEMBL15042876

SCHEMBL15042876

CC(C)c1cc2c(cnc3c(C(C)C)cccc32)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 10/20 0.40
▸ GABRG2 P18507 10/20 0.40
▸ GABRB3 P28472 10/20 0.40
▸ GABRA5 P31644 10/20 0.40
▸ GABRA3 P34903 10/20 0.40
▸ GABRA2 P47869 10/20 0.40
▸ GABRA4 P48169 10/20 0.40
▸ GABRA6 Q16445 10/20 0.40
▸ GABRP O00591 9/20 0.40
▸ GABRD O14764 9/20 0.40
▸ GABRB1 P18505 9/20 0.40
▸ GABRB2 P47870 9/20 0.40
▸ GABRE P78334 9/20 0.40
▸ GABRG1 Q8N1C3 9/20 0.40
▸ GABRG3 Q99928 9/20 0.40
▸ GABRQ Q9UN88 9/20 0.40
▸ LMNA P02545 1/20 0.39
▸ DHFR P00374 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL19485897 0.82 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15042847 0.78 LMNA (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15042893 0.75 DHFR (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL24371171 0.74 DHFR (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15042889 0.72 PDK2 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19012503 0.71 LMNA (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15042884 0.69 KIF11 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15042846 0.68 KDM5A (0.33) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15042873 0.67 DHFR (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15042892 0.67 DHFR (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3

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 GABRA1 3334/4885GABRG2 3351/4885GABRB3 3395/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L GABRA1 3738/4885GABRG2 3727/4885GABRB3 3116/4885

“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.