SCHEMBL804189

SCHEMBL804189

COC(=O)Cn1cc(C2CCCCC2)c2ccc(C#N)nc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
CAMKK2 Q96RR4 1/20 0.40
PGR P06401 1/20 0.37
IDH1 O75874 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PTGDR Q13258 1/20 0.36
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
CFD P00746 1/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 3/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3788411 0.87 CAMKK2 (0.42) CAMKK2PGRPTGDR2CFD
SCHEMBL792773 0.81 PTGDR (0.36) POLBPTGDR2PTGDRCNR1CNR2
SCHEMBL10283722 0.79 CAMKK2 (0.37) CAMKK2PTGDR2CDK7CCNHMNAT1
SCHEMBL4046072 0.78 CAMKK2 (0.40) CAMKK2PTGDR2
SCHEMBL804023 0.77 CNR1 (0.35) CAMKK2CDK7CCNHMNAT1CNR1
SCHEMBL12597553 0.76 CDK7 (0.40) CAMKK2CDK7CCNHMNAT1
SCHEMBL5447286 0.75 POLB (0.36) POLBCNR1CNR2CFDMAPT
SCHEMBL771842 0.74 CAMKK2 (0.41) CAMKK2PTGDR2PTGDR
SCHEMBL792776 0.74 JAK2 (0.38) POLBMAPTALDH1A1
SCHEMBL771788 0.73 NPC1 (0.39) POLBCNR2MAPTRXFP1ALDH1A1

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 4 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
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 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

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 POLB 77/4885CAMKK2 4477/4885PGR 4028/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 POLB 77/4885CAMKK2 4477/4885PGR 4028/4885

“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.