SCHEMBL771842

SCHEMBL771842

CC(C(=O)O)n1cc(C2CCCCC2)c2ccc(C#N)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.33
PTGDR Q13258 1/20 0.33
PTGER4 P35408 1/20 0.33
ELANE P08246 2/20 0.32
SCN9A Q15858 3/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
SCN5A Q14524 1/20 0.31
MGLL Q99685 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CYP19A1 P11511 1/20 0.31
CTSB P07858 2/20 0.31

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 0.78 CAMKK2 (0.42) CAMKK2PTGDR2ELANEDDB1CRBN
SCHEMBL12597553 0.78 CDK7 (0.40) CAMKK2SCN9ASCN5ADDB1CRBN
SCHEMBL4046072 0.77 CAMKK2 (0.40) CAMKK2PTGDR2ELANESCN9ASCN5A
SCHEMBL771843 0.75 ALDH1A1 (0.38) CAMKK2GAASMN1; SMN2
SCHEMBL804189 0.74 POLB (0.40) CAMKK2PTGDR2PTGDR
SCHEMBL10283722 0.72 CAMKK2 (0.37) CAMKK2PTGDR2EGLN1DDB1CRBN
SCHEMBL804023 0.68 CNR1 (0.35) CAMKK2CTSB
SCHEMBL772336 0.66 LTA4H (0.38) CAMKK2CTSB
SCHEMBL771610 0.62 CAMKK2 (0.57) CAMKK2
SCHEMBL12172122 0.61 CYP19A1 (0.56) CYP19A1

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 CAMKK2 4477/4885PTGDR2 4522/4885PTGDR 4421/4885

“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.