SCHEMBL772489

SCHEMBL772489

O=C(NCc1nc2ccccc2[nH]1)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1ccccc1-3

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PRKCA P17252 1/20 0.46
MMP12 P39900 1/20 0.46
MAPK10 P53779 1/20 0.44
MAPT P10636 1/20 0.42
ITGB3 P05106 7/20 0.41
ITGAV P06756 7/20 0.41
ITGA2B P08514 2/20 0.41
NR1I2 O75469 1/20 0.40
SCN9A Q15858 1/20 0.40
MELK Q14680 1/20 0.39

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
SCHEMBL774045 0.94 PRKCA (0.49) ROCK2SMN1; SMN2KMT2APOLBTSHR
SCHEMBL771165 0.87 RPS6KA2 (0.47) SMN1; SMN2KMT2AKDM4EPRKCAMMP12
SCHEMBL773708 0.84 PRKCA (0.44) KMT2APRKCAMMP12MAPTNR1I2
SCHEMBL774323 0.84 TDP1 (0.48) SMN1; SMN2KMT2ATSHRKDM4EPRKCA
SCHEMBL774322 0.84 PRKCA (0.47) KMT2APOLBKDM4EPRKCAMMP12
SCHEMBL773811 0.83 PRKCA (0.44) SMN1; SMN2KMT2APOLBPRKCAMMP12
SCHEMBL774451 0.83 PRKCA (0.46) KMT2APOLBPRKCAMMP12MAPT
SCHEMBL773812 0.83 PRKCA (0.44) SMN1; SMN2KMT2ATSHRPRKCAMMP12
SCHEMBL774557 0.83 PRKCA (0.54) KMT2AKDM4EPRKCAMMP12MAPT
SCHEMBL774547 0.82 PRKCA (0.53) KDM4EPRKCAMMP12NR1I2SCN9A

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 7 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ROCK2 4024/4885SMN1; SMN2 4306/4885KMT2A 1865/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ROCK2 4024/4885SMN1; SMN2 4306/4885KMT2A 1865/4885

“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.