SCHEMBL3526882

SCHEMBL3526882

O=c1c(Br)c(-c2ccc3c(c2)OCO3)ncn1Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.49
PDE5A O76074 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CLK1 P49759 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPK14 Q16539 2/20 0.43
TP53 P04637 2/20 0.43
CDK9 P50750 1/20 0.41
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL3525282 0.84 MAPK14 (0.56) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4468228 0.82 MAPT (0.54) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL3524926 0.81 MAPK14 (0.46) MAPTSMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL3523102 0.78 GRIN1 (0.51) MAPTMAPK14TP53ROCK2ROCK1
SCHEMBL3526877 0.78 HPGD (0.57) MAPTSMN1; SMN2MAPK14TP53ROCK2
SCHEMBL3525008 0.78 MAPK14 (0.44) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL3522065 0.77 ROCK2 (0.48) MAPTSMN1; SMN2MAPK14ROCK2ROCK1
SCHEMBL3526884 0.76 MAPT (0.53) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL3524971 0.73 MAPK14 (0.53) MAPTSMN1; SMN2POLBMAPK14ROCK2
SCHEMBL3526494 0.72 MAPK14 (0.49) MAPTSMN1; SMN2MAPK14ROCK2ROCK1

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 MAPT 2576/4885SMN1; SMN2 912/4885POLB 1067/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPT 3038/4885SMN1; SMN2 746/4885POLB 726/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPT 2576/4885SMN1; SMN2 912/4885POLB 1067/4885

“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.