SCHEMBL205528

SCHEMBL205528

O=C(O)c1ccc(-c2ccncc2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.55
GSK3B P49841 3/20 0.55
CLK4 Q9HAZ1 3/20 0.55
RPS6KA5 O75582 1/20 0.55
RPS6KA4 O75676 1/20 0.55
PRKACA P17612 1/20 0.55
MAPK1 P28482 1/20 0.55
PRKX P51817 1/20 0.55
LIMK1 P53667 1/20 0.55
ROCK1 Q13464 1/20 0.55
PRKG1 Q13976 1/20 0.55
RARB P10826 3/20 0.54
RARA P10276 2/20 0.54
RARG P13631 1/20 0.54
SLC22A12 Q96S37 1/20 0.51
CYP17A1 P05093 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP19A1 P11511 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
SCHEMBL16534058 0.87 RARB (0.60) RARBRARARARGSLC22A12ALDH1A1
SCHEMBL30641680 0.87 RARB (0.60) RARBRARARARGSLC22A12ALDH1A1
SCHEMBL205752 0.84 ROCK2 (0.48) ROCK2GSK3BCLK4RPS6KA5RPS6KA4
SCHEMBL121429 0.83 ACMSD (0.63) RARBRARARARGDHODHKDM4E
SCHEMBL2483673 0.83 CHUK (0.56) ROCK2GSK3BCLK4DHODHCHUK
SCHEMBL31725051 0.83 ACMSD (0.63) RARBRARARARGDHODHKDM4E
SCHEMBL4652842 0.83 RARB (0.58) RARBRARARARGSLC22A12ALDH1A1
SCHEMBL17177744 0.83 RARB (0.57) RARBRARARARGSLC22A12ALDH1A1
SCHEMBL29372732 0.83 RARB (0.57) RARBRARARARGSLC22A12ALDH1A1
SCHEMBL16534012 0.81 KDM4E (0.68) RARBRARARARGKDM4ELMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN 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
US-4959363-A HERPES VIRUS STERLING DRUG INC. (US) 1990-09-25 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 ROCK2 2120/4885GSK3B 248/4885CLK4 4184/4885

“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.