SCHEMBL3521065

SCHEMBL3521065

O=c1c(Br)c(Nc2ccc(F)cc2F)ncn1Cc1cccc(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
HSD17B13 Q7Z5P4 1/20 0.43
LMNA P02545 1/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PTGER3 P43115 1/20 0.39
PDE1C Q14123 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3521362 0.88 MAPT (0.49) MAPK14MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL3522187 0.84 MAPK14 (0.48) MAPK14MAPTSMN1; SMN2L3MBTL1HSD17B13
SCHEMBL3523859 0.84 MAPK14 (0.57) MAPK14MAPTSMN1; SMN2L3MBTL1HSD17B13
SCHEMBL3523270 0.83 MAPK14 (0.49) MAPK14MAPTSMN1; SMN2L3MBTL1HSD17B13
SCHEMBL3521684 0.82 MAPT (0.48) MAPK14MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL3524048 0.81 KDM4E (0.48) MAPK14MAPTSMN1; SMN2L3MBTL1HSD17B13
SCHEMBL4466743 0.81 MAPK14 (0.60) MAPK14MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL3522865 0.80 MAPT (0.47) MAPK14MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL3526199 0.80 HSD17B13 (0.52) MAPK14MAPTSMN1; SMN2L3MBTL1HSD17B13
SCHEMBL3521076 0.80 MAPT (0.49) MAPK14MAPTSMN1; SMN2L3MBTL1HSD17B13

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 MAPK14 38/4885MAPT 2576/4885SMN1; SMN2 912/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPT 3038/4885SMN1; SMN2 746/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPT 2576/4885SMN1; SMN2 912/4885

“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.