SCHEMBL803692

SCHEMBL803692

CC(C)(C)c1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.59
CSNK1G2 P78368 4/20 0.59
CSNK1A1 P48729 3/20 0.59
GSK3B P49841 3/20 0.59
CFB P00751 9/20 0.56
PIN1 Q13526 1/20 0.54
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PKN1 Q16512 1/20 0.52
PKN2 Q16513 1/20 0.52
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49

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
SCHEMBL13677328 0.87 CSNK1D (0.46) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL21822330 0.84 PIN1 (0.54) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL7655150 0.84 ALDH1A1 (0.58) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL3269719 0.80 ALDH1A1 (0.58) PIN1ALDH1A1SMN1; SMN2L3MBTL1METAP2
SCHEMBL12430878 0.78 CSNK1D (0.61) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL29439000 0.78 CSNK1D (0.61) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL846652 0.76 SCN10A (0.78) CSNK1DCSNK1G2CSNK1A1GSK3BALDH1A1
SCHEMBL18659837 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2L3MBTL1KCNH2SCN10A
SCHEMBL22219469 0.75 PIN1 (0.58) CSNK1DCSNK1G2CSNK1A1GSK3BCFB
SCHEMBL1245514 0.75 PIN1 (0.58) CSNK1DCSNK1G2CSNK1A1GSK3BCFB

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
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US 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 CSNK1D 1932/4885CSNK1G2 1718/4885CSNK1A1 1021/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CSNK1D 1932/4885CSNK1G2 1718/4885CSNK1A1 1021/4885

“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.