SCHEMBL3520113

SCHEMBL3520113

N#Cc1ccc(Cn2cnc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.52
MAPK14 Q16539 4/20 0.50
MAOB P27338 1/20 0.47
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
DAPK1 P53355 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
PGGT1B P53609 1/20 0.43
HTT P42858 1/20 0.42
CYP19A1 P11511 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3525734 0.90 MAPK14 (0.49) MMP13MAPK14CYP11B1CYP11B2HTT
SCHEMBL3524527 0.89 MAPK14 (0.60) MAPK14CYP11B1CYP11B2DAPK1HTT
SCHEMBL3522000 0.89 RXFP1 (0.46) MMP13MAPK14CYP11B1CYP11B2DAPK1
SCHEMBL3520146 0.87 MAPK14 (0.55) MMP13MAPK14CYP11B1CYP11B2FNTA
SCHEMBL3522304 0.87 MAPK14 (0.55) MAPK14CYP11B1CYP11B2DAPK1
SCHEMBL3524246 0.86 MAPK14 (0.54) MAPK14CYP11B1CYP11B2DAPK1HTT
SCHEMBL3522825 0.86 MAPK14 (0.54) MAPK14CYP11B1CYP11B2DAPK1HTT
SCHEMBL3521867 0.85 MAPK14 (0.53) MMP13MAPK14DAPK1HTTKDM4E
SCHEMBL3522176 0.85 MAPK14 (0.53) MAPK14MAOBDAPK1HTTKDM4E
SCHEMBL3525553 0.85 MAPK14 (0.53) MMP13MAPK14CYP11B1CYP11B2DAPK1

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 MMP13 3566/4885MAPK14 38/4885MAOB 1718/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MMP13 3501/4885MAPK14 29/4885MAOB 1814/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MMP13 3566/4885MAPK14 38/4885MAOB 1718/4885

“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.