SCHEMBL803769

SCHEMBL803769

COOCc1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1c(-c2cccnc2)cccc1-3

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.35
PTGER2 P43116 9/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
PRKCA P17252 1/20 0.33
MMP12 P39900 1/20 0.33
NR1I2 O75469 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR6 P50406 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 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
SCHEMBL803702 0.86 PRKCA (0.36) PRKCAMMP12NR1I2
SCHEMBL792596 0.85 PRKCA (0.34) TNIKPTGER2PRKCAMMP12NR1I2
SCHEMBL12510208 0.84 PRKCA (0.34) PRKCAMMP12NR1I2
SCHEMBL774184 0.83 NR1I2 (0.40) PRKCAMMP12NR1I2KCNH2
SCHEMBL14572895 0.82 NPC1 (0.35) TNIKPRKCAMMP12NR1I2KCNH2
SCHEMBL804237 0.81 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2
SCHEMBL792592 0.81 KCNH2 (0.33) TNIKHCRTR1PRKCAMMP12NR1I2
SCHEMBL10283558 0.81 PRKCA (0.34) PRKCAMMP12NR1I2ALDH1A1
SCHEMBL803906 0.81 PRKCA (0.44) PRKCAMMP12NR1I2
Hydrochloric Acid SCHEMBL771873 0.81 PRKCA (0.46) PRKCAMMP12NR1I2KCNH2

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 TNIK 2346/4885PTGER2 4650/4885HCRTR1 4616/4885

“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.