SCHEMBL208002

SCHEMBL208002

CCCN1CCC(c2ccc(-c3nc4cccc(C(N)=O)c4o3)c(F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.47
PARP2 Q9UGN5 1/20 0.47
DRD2 P14416 6/20 0.42
SLC6A4 P31645 2/20 0.42
IGF1R P08069 1/20 0.40
GRK2 P25098 1/20 0.40
GRK5 P34947 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
MCHR1 Q99705 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
DYRK3 O43781 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
INSR P06213 1/20 0.39
CSF1R P07333 1/20 0.39
PIM1 P11309 1/20 0.39
CLK2 P49760 1/20 0.39
IRAK1 P51617 1/20 0.39
PRKCD Q05655 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
SCHEMBL206116 0.86 PARP1 (0.52) PARP1PARP2DRD2SLC6A4
SCHEMBL205152 0.85 PARP1 (0.49) PARP1PARP2DYRK3PRKD3MAP4K4
SCHEMBL205511 0.83 MAP4K4 (0.49) PARP1PARP2DYRK3PRKD3MAP4K4
SCHEMBL203957 0.79 PARP1 (0.57) PARP1PARP2DRD2SLC6A4
SCHEMBL206411 0.76 PARP1 (0.47) PARP1PARP2DRD2SIGMAR1DRD3
SCHEMBL207414 0.76 PARP1 (0.61) PARP1PARP2DYRK3PRKD3MAP4K4
SCHEMBL205447 0.75 PARP1 (0.62) PARP1PARP2DYRK3PRKD3MAP4K4
SCHEMBL207485 0.74 PARP1 (0.50) PARP1PARP2AURKB
SCHEMBL205714 0.73 PARP1 (0.49) PARP1PARP2DRD2AURKBDRD3
SCHEMBL206489 0.71 PARP1 (0.50) PARP1PARP2DRD2SIGMAR1DRD3

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-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US claimed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 US claimed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 PARP1 1/4885PARP2 2/4885DRD2 4693/4885

“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.