SCHEMBL3520673

SCHEMBL3520673

CC(C)(C)c1ccc(Cn2cnc(OCc3ccccc3)c(Br)c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
DAPK1 P53355 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
ADORA2B P29275 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR1I2 O75469 1/20 0.41
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 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
SCHEMBL3522694 0.90 MAPK14 (0.49) MAPK14ABCC8KCNJ11SMN1; SMN2KMT2A
SCHEMBL3524527 0.89 MAPK14 (0.60) MAPK14DAPK1SMN1; SMN2ADORA2BRXFP1
SCHEMBL3524029 0.89 MAPK14 (0.50) MAPK14DAPK1SMN1; SMN2ALDH1A1
SCHEMBL3518434 0.87 MAPK14 (0.55) MAPK14ABCC8KCNJ11SMN1; SMN2KMT2A
SCHEMBL3521697 0.87 MAPK14 (0.53) MAPK14DAPK1SMN1; SMN2TP53KMT2A
SCHEMBL3525553 0.87 MAPK14 (0.53) MAPK14DAPK1SMN1; SMN2TP53KMT2A
SCHEMBL3522304 0.87 MAPK14 (0.55) MAPK14DAPK1KMT2AMEN1ALDH1A1
SCHEMBL3522825 0.86 MAPK14 (0.54) MAPK14DAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL3524246 0.86 MAPK14 (0.54) MAPK14DAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL3521867 0.85 MAPK14 (0.53) MAPK14DAPK1SMN1; SMN2KMT2AMEN1

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 38/4885ABCC8 1126/4885KCNJ11 3195/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ABCC8 1507/4885KCNJ11 2877/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ABCC8 1126/4885KCNJ11 3195/4885

“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.