SCHEMBL204716

SCHEMBL204716

NC(=O)c1cccc2nc(-c3ccc(C4CCCCN4)cc3)oc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.58
PARP2 Q9UGN5 6/20 0.58
PARP3 Q9Y6F1 1/20 0.48
DHODH Q02127 1/20 0.48
MAP4K4 O95819 1/20 0.46
CSF1R P07333 1/20 0.46
PIM1 P11309 1/20 0.46
CLK2 P49760 1/20 0.46
MAP4K2 Q12851 1/20 0.46
DYRK1A Q13627 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
AURKB Q96GD4 1/20 0.46
MAP4K5 Q9Y4K4 1/20 0.46
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
HTR3A P46098 1/20 0.42

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
SCHEMBL206291 0.90 PARP1 (0.49) PARP1PARP2PARP3DHODHMAP4K4
SCHEMBL205447 0.84 PARP1 (0.62) PARP1PARP2PARP3MAP4K4CSF1R
SCHEMBL207014 0.82 PARP1 (0.56) PARP1PARP2DHODHESR1ESR2
SCHEMBL207414 0.81 PARP1 (0.61) PARP1PARP2PARP3MAP4K4CSF1R
SCHEMBL203990 0.81 PARP1 (0.58) PARP1PARP2PARP3DHODHMAP4K4
SCHEMBL204471 0.79 PARP1 (0.56) PARP1PARP2PARP3MAP4K4CSF1R
SCHEMBL16495358 0.76 DHODH (0.81) PARP1DHODHESR1ESR2HTR3A
SCHEMBL204887 0.75 DHODH (0.76) PARP1DHODHESR1ESR2HTR3A
SCHEMBL3703337 0.75 DHODH (0.62) DHODHESR1ESR2HTR3A
SCHEMBL4970556 0.74 PARP1 (1.00) PARP1PARP2MAP4K4CSF1RPIM1

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 2/4885PARP3 4/4885

“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.