SCHEMBL205152

SCHEMBL205152

CCCN1CCCCC1c1ccc(-c2nc3cccc(C(N)=O)c3o2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.49
POLB P06746 1/20 0.40
HTR3A P46098 3/20 0.39
PARP2 Q9UGN5 4/20 0.38
MAP4K4 O95819 2/20 0.38
CSF1R P07333 2/20 0.38
PIM1 P11309 2/20 0.38
CLK2 P49760 2/20 0.38
MAP4K2 Q12851 2/20 0.38
DYRK1A Q13627 2/20 0.38
MINK1 Q8N4C8 2/20 0.38
AURKB Q96GD4 2/20 0.38
MAP4K5 Q9Y4K4 2/20 0.38
DYRK3 O43781 1/20 0.36
PRKD3 O94806 1/20 0.36
INSR P06213 1/20 0.36
IRAK1 P51617 1/20 0.36
PRKCD Q05655 1/20 0.36
MELK Q14680 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36

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
SCHEMBL208002 0.85 PARP1 (0.47) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL205447 0.77 PARP1 (0.62) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL207414 0.76 PARP1 (0.61) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL205511 0.76 MAP4K4 (0.49) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4971044 0.76 PARP1 (0.66) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL206116 0.72 PARP1 (0.52) PARP1HTR3APARP2
SCHEMBL206411 0.71 PARP1 (0.47) PARP1HTR3APARP2
SCHEMBL3397634 0.71 NR2F2 (0.41) PARP1POLB
SCHEMBL206440 0.70 DHODH (0.47) PARP1POLBPARP2MAP4K4CSF1R
SCHEMBL4969237 0.70 PARP1 (0.65) 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 6 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
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO 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 1/4885POLB 27/4885HTR3A 2187/4885

“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.