SCHEMBL15042828

SCHEMBL15042828

CC(C)c1nc2ccc3cc(C(C)C)n(C)c3c2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ADORA3 P0DMS8 2/20 0.37
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ PARG Q86W56 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ SCN10A Q9Y5Y9 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ ALOX15 P16050 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
SCHEMBL15042815 0.78 HSD17B10 (0.38) KDM4ELMNAHSD17B10ADORA3ADORA2A
SCHEMBL15042820 0.76 KDM4E (0.37) KDM4ELMNAHSD17B10ADORA3ADORA2A
SCHEMBL25760403 0.75 CYP2A6 (0.35) CYP1A2
SCHEMBL15042816 0.75 KDM4E (0.50) KDM4ELMNAHSD17B10ADORA3ADORA2A
SCHEMBL15042867 0.74 EIF4A3 (0.31) —
SCHEMBL10141001 0.70 CYP1A2 (0.45) KDM4ELMNAHSD17B10ADORA3ADORA2A
SCHEMBL15042839 0.69 KDM4E (0.42) KDM4ELMNAHSD17B10ADORA3ADORA2A
SCHEMBL19486052 0.69 KDM4E (0.42) KDM4ELMNAHSD17B10ADORA3ADORA2A
SCHEMBL12327738 0.68 CYP1A2 (0.46) KDM4ELMNAHSD17B10ADORA3ADORA2A
SCHEMBL12294461 0.68 SCN10A (0.44) KDM4ELMNAHSD17B10ADORA3ADORA2A

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 KDM4E 2635/4885LMNA 1245/4885HSD17B10 230/4885
US-20170008879-A1 FUSED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES ZC3HAV1, HAVCR2, ZC3HAV1L KDM4E 2910/4885LMNA 705/4885HSD17B10 615/4885

“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.

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