SCHEMBL15045470

SCHEMBL15045470

Cc1cnc2ccc3[nH]c(C)cc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ RXFP1 Q9HBX9 3/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ACHE P22303 1/20 0.44
▸ NQO2 P16083 1/20 0.41
▸ CYP1A2 P05177 3/20 0.38
▸ TOP2A P11388 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ EGFR P00533 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL9539910 0.81 CYP1A2 (0.52) KDM4EMAPTCYP1A2LMNAPARP1
SCHEMBL4424885 0.77 NQO2 (0.57) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL15045463 0.75 CCR1 (0.58) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL15045567 0.75 CYP1A2 (0.41) ALDH1A1GAAKDM4EL3MBTL1CYP1A2
SCHEMBL7922369 0.74 CYP1A2 (0.41) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL29377586 0.74 CYP1A2 (0.41) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL16892344 0.72 NQO2 (0.53) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL15045464 0.72 CHEK1 (0.44) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL28280007 0.71 ACHE (0.54) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL15045462 0.71 ALDH1A1 (0.61) ALDH1A1GAARXFP1KDM4EMAPT

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 2 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-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 (1 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 ALDH1A1 578/4885GAA 1195/4885RXFP1 4597/4885

“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.

Send feedback