SCHEMBL3526646

SCHEMBL3526646

NCc1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.43
MAPK14 Q16539 5/20 0.43
HCAR1 Q9BXC0 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 2/20 0.35
MAOA P21397 1/20 0.35
CYP1A2 P05177 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
GRM5 P41594 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
MGMT P16455 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL3522454 0.85 PARP10 (0.50) MAPK14
SCHEMBL3522703 0.84 NR4A1 (0.48) MAPK14HPGDMEN1KMT2A
SCHEMBL3522032 0.83 MAOB (0.48) MAOBMAPK14
SCHEMBL3522176 0.83 MAPK14 (0.53) MAOBMAPK14HPGDMEN1KMT2A
SCHEMBL3520099 0.81 HDAC6 (0.45) KCNH2
SCHEMBL3521536 0.81 MAPT (0.39) MAPK14RAB9AL3MBTL1MEN1KMT2A
SCHEMBL3524455 0.81 FGFR1 (0.50) HPGDMEN1KMT2APKMCA1
SCHEMBL3526023 0.80 MAPT (0.42) MAPK14L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL4383498 0.79 MAPK14 (0.57) MAOBMAPK14KCNH2MCHR1LOXL2
SCHEMBL3524427 0.79 MAPK14 (0.48) MAOBMAPK14MEN1KMT2ASMN1; SMN2

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
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
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 WO 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 38/4885HCAR1 1278/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAOB 1814/4885MAPK14 29/4885HCAR1 2112/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAOB 1718/4885MAPK14 38/4885HCAR1 1278/4885

“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.