SCHEMBL3522032

SCHEMBL3522032

N#Cc1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.48
MAPK14 Q16539 2/20 0.41
AR P10275 1/20 0.39
CYP11B2 P19099 3/20 0.39
TDP2 O95551 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SQOR Q9Y6N5 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
CYP19A1 P11511 1/20 0.37
MMP13 P45452 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
SCHEMBL3526646 0.83 MAOB (0.43) MAOBMAPK14
SCHEMBL3520113 0.83 MMP13 (0.52) MAOBMAPK14CYP11B2KDM4ECYP19A1
SCHEMBL3522703 0.82 NR4A1 (0.48) MAPK14
SCHEMBL3522476 0.81 SQOR (0.39) MAOBMAPK14KDM4ESQOR
SCHEMBL3522454 0.81 PARP10 (0.50) MAPK14
SCHEMBL4381149 0.80 MAPK14 (0.55) MAOBMAPK14AR
SCHEMBL3520099 0.80 HDAC6 (0.45)
SCHEMBL3524455 0.79 FGFR1 (0.50) CYP11B2KDM4E
SCHEMBL3521536 0.77 MAPT (0.39) MAPK14
SCHEMBL3522000 0.76 RXFP1 (0.46) MAPK14CYP11B2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (3 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAOB 1718/4885MAPK14 38/4885AR 2760/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAOB 1814/4885MAPK14 29/4885AR 2847/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAOB 1718/4885MAPK14 38/4885AR 2760/4885

“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.