SCHEMBL3518463

SCHEMBL3518463

COc1ccc(Cn2cnc(OCc3ccc(F)cc3)c(Br)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
MAPK14 Q16539 2/20 0.50
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 1/20 0.47
MET P08581 1/20 0.47
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP13 P45452 2/20 0.42
CYP11B2 P19099 1/20 0.42
RGS4 P49798 1/20 0.41
RGS8 P57771 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
FFAR1 O14842 1/20 0.41
USP2 O75604 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41

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
SCHEMBL3522839 0.92 MAPK14 (0.57) KDM4EMAPK14HPGDGAAALDH1A1
SCHEMBL3520639 0.90 MAPK14 (0.48) KDM4EMAPK14TSHRMAPTMMP13
SCHEMBL3523536 0.88 MAPK14 (0.56) KDM4EMAPK14TSHRHPGDGAA
SCHEMBL3520846 0.87 MAPK14 (0.65) KDM4EMAPK14HPGDGAAALDH1A1
SCHEMBL3521867 0.87 MAPK14 (0.53) KDM4EMAPK14TSHRHPGDALDH1A1
SCHEMBL3521216 0.86 MAPK14 (0.52) KDM4EMAPK14HPGDGAAALDH1A1
SCHEMBL3522694 0.85 MAPK14 (0.49) KDM4EMAPK14HPGDGAAALDH1A1
SCHEMBL3521789 0.84 MAPK14 (0.50) KDM4EMAPK14TSHRHPGDALDH1A1
SCHEMBL3522112 0.84 MAPK14 (0.50) KDM4EMAPK14HPGDGAAALDH1A1
SCHEMBL3525734 0.83 MAPK14 (0.49) KDM4EMAPK14HPGDGAAALDH1A1

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 KDM4E 3806/4885MAPK14 38/4885TSHR 1455/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 KDM4E 3935/4885MAPK14 29/4885TSHR 2512/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 KDM4E 3806/4885MAPK14 38/4885TSHR 1455/4885

“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.