SCHEMBL3521789

SCHEMBL3521789

O=c1c(Br)c(OCc2ccc(F)cc2)ncn1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
MMP13 P45452 1/20 0.42
DAPK1 P53355 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRK2 P25098 2/20 0.40
GRK1 Q15835 1/20 0.40
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 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
SCHEMBL3521867 0.94 MAPK14 (0.53) MAPK14SMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL3522839 0.92 MAPK14 (0.57) MAPK14SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3520846 0.87 MAPK14 (0.65) MAPK14SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3524527 0.87 MAPK14 (0.60) MAPK14SMN1; SMN2CYP11B1CYP11B2LMNA
SCHEMBL3521216 0.86 MAPK14 (0.52) MAPK14SMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL3522304 0.84 MAPK14 (0.55) MAPK14CYP11B1CYP11B2LMNAALDH1A1
SCHEMBL3522112 0.84 MAPK14 (0.50) MAPK14SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3518463 0.84 KDM4E (0.51) MAPK14SMN1; SMN2CYP11B2ALDH1A1KDM4E
SCHEMBL3521534 0.84 MAPK14 (0.67) MAPK14SMN1; SMN2LMNAALDH1A1KDM4E
SCHEMBL3524246 0.83 MAPK14 (0.54) MAPK14SMN1; SMN2CYP11B1CYP11B2LMNA

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 38/4885SMN1; SMN2 912/4885CYP11B1 509/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885SMN1; SMN2 746/4885CYP11B1 269/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885SMN1; SMN2 912/4885CYP11B1 509/4885

“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.