SCHEMBL792592

SCHEMBL792592

O=COc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(-c2cccnc2)cccc1-3

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
TNIK Q9UKE5 1/20 0.33
PRKCA P17252 1/20 0.32
MMP12 P39900 1/20 0.32
PRKDC P78527 1/20 0.32
NR1I2 O75469 1/20 0.32
RORC P51449 2/20 0.32
HCRTR1 O43613 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BACE1 P56817 2/20 0.31
CTSD P07339 1/20 0.31
CTSE P14091 1/20 0.31
SCN9A Q15858 2/20 0.31
PIM1 P11309 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
SCHEMBL14572895 0.88 NPC1 (0.35) KCNH2TNIKPRKCAMMP12NR1I2
SCHEMBL792596 0.85 PRKCA (0.34) KCNH2TNIKPRKCAMMP12PRKDC
SCHEMBL804237 0.84 PRKCA (0.46) KCNH2PRKCAMMP12NR1I2RORC
Hydrochloric Acid SCHEMBL771873 0.84 PRKCA (0.46) KCNH2PRKCAMMP12NR1I2RORC
SCHEMBL774184 0.83 NR1I2 (0.40) KCNH2PRKCAMMP12NR1I2SCN9A
SCHEMBL803769 0.81 TNIK (0.35) KCNH2TNIKPRKCAMMP12NR1I2
SCHEMBL792822 0.80 PRKCA (0.44) PRKCAMMP12NR1I2SCN9A
SCHEMBL792488 0.78 KDM4E (0.36) ALDH1A1
SCHEMBL792645 0.78 PRKCA (0.36) PRKCAMMP12NR1I2SCN9A
SCHEMBL12429034 0.76 PRKCA (0.47) PRKCAMMP12NR1I2RORCALDH1A1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KCNH2 3813/4885TNIK 2346/4885PRKCA 2404/4885

“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.