SCHEMBL804263

SCHEMBL804263

O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCN(Cc1cccnc1)c1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.45
MMP12 P39900 1/20 0.45
CNR2 P34972 1/20 0.40
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 1/20 0.38
DRD4 P21917 1/20 0.38
SCN9A Q15858 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
CXCR4 P61073 1/20 0.37
NR1I2 O75469 1/20 0.36
HTT P42858 2/20 0.36
TBXAS1 P24557 2/20 0.36
HDAC1 Q13547 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
SCHEMBL12427778 0.92 PRKCA (0.44) PRKCAMMP12CNR2PRKAG1PRKAA2
SCHEMBL804080 0.92 PRKCA (0.50) PRKCAMMP12PRKAG1PRKAA2PRKAB1
SCHEMBL12427710 0.91 PRKCA (0.47) PRKCAMMP12CNR2PRKAG1PRKAA2
SCHEMBL12427695 0.85 PRKCA (0.46) PRKCAMMP12CNR2KDM4EALDH1A1
SCHEMBL12427581 0.85 PRKCA (0.49) PRKCAMMP12PRKAG1PRKAA2PRKAB1
SCHEMBL10283267 0.84 PRKCA (0.46) PRKCAMMP12CNR2PRKAG1PRKAA2
SCHEMBL803839 0.81 PRKCA (0.49) PRKCAMMP12PRKAG1PRKAA2PRKAB1
SCHEMBL804124 0.81 PRKCA (0.49) PRKCAMMP12PRKAG1PRKAA2PRKAB1
SCHEMBL803874 0.81 PRKCA (0.49) PRKCAMMP12PRKAG1PRKAA2PRKAB1
SCHEMBL12427682 0.81 PRKCA (0.49) PRKCAMMP12PRKAG1PRKAA2PRKAB1

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-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
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 PRKCA 2404/4885MMP12 1013/4885CNR2 4449/4885

“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.