SCHEMBL3521487

SCHEMBL3521487

N#Cc1cc(F)ccc1COc1ncn(Cc2cccnc2)c(=O)c1Br

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK14 Q16539 9/20 0.42
RIPK3 Q9Y572 3/20 0.39
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
CNOT7 Q9UIV1 1/20 0.36

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
SCHEMBL3527861 0.88 MAPK14 (0.54) PKMSMN1; SMN2MAPK14KDM4EL3MBTL1
SCHEMBL4467661 0.86 MAPK14 (0.59) MAPK14RIPK3
SCHEMBL3522063 0.83 PKM (0.53) PKMSMN1; SMN2MAPK14KDM4EL3MBTL1
SCHEMBL3527233 0.78 MAPK14 (0.61) MAPK14
SCHEMBL3522554 0.76 MAPK14 (0.56) MAPK14
SCHEMBL5268247 0.76 SQOR (0.39) MAPK14RIPK3GRIN1GRIN2BSQOR
SCHEMBL3518775 0.76 MAPK14 (0.69) MAPK14
SCHEMBL3520146 0.74 MAPK14 (0.55) PKMSMN1; SMN2MAPK14KDM4E
SCHEMBL6649455 0.73 MAPK14 (0.37) MAPK14RIPK3GRIN1GRIN2BSQOR
SCHEMBL3522196 0.73 MAPK14 (0.53) MAPK14

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 PKM 994/4885SMN1; SMN2 912/4885MAPK14 38/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PKM 1090/4885SMN1; SMN2 746/4885MAPK14 29/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PKM 994/4885SMN1; SMN2 912/4885MAPK14 38/4885

“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.