SCHEMBL3524686

SCHEMBL3524686

COc1ccc(Cn2c(C)nc(OCc3ccc(F)cc3F)cc2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.46
DCTPP1 Q9H773 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
TSHR P16473 3/20 0.44
USP2 O75604 2/20 0.44
CYP2C9 P11712 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
BRCA1 P38398 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 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
SCHEMBL13185698 0.89 MAPK14 (0.46) MAPK14
SCHEMBL3519136 0.86 MAPK14 (0.49) MAPK14DCTPP1SMN1; SMN2MAOB
SCHEMBL3520089 0.86 MAPK14 (0.51) MAPK14MAOB
SCHEMBL4378569 0.82 MAPK14 (0.53) MAPK14ALDH1A1MAOB
SCHEMBL3518702 0.81 MAPK14 (0.55) MAPK14
SCHEMBL3523048 0.79 MAPK14 (0.39) MAPK14MAOB
SCHEMBL4379371 0.75 MAPK14 (0.80) MAPK14
SCHEMBL3521145 0.75 PTGER1 (0.41) MAPK14MAOB
SCHEMBL3521142 0.75 PTGER1 (0.41) MAPK14MAOB
SCHEMBL5443627 0.74 MAPK14 (0.58) MAPK14MAOB

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 7 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
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 WO 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 38/4885DCTPP1 304/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885DCTPP1 176/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885DCTPP1 304/4885ALDH1A1 874/4885

“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.