SCHEMBL3524281

SCHEMBL3524281

Cc1nc(OCc2c(F)cccc2F)c(Br)c(=O)n1Cc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GNRHR P30968 1/20 0.35
KCNK13 Q9HB14 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
PTGER1 P34995 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3526497 0.91 MAPK14 (0.41) MAPK14GRIN1GRIN2B
SCHEMBL3523950 0.85 MAPK14 (0.51) MAPK14ALDH1A1MAPTPKMHIF1A
SCHEMBL3521110 0.82 MAPK14 (0.55) MAPK14
SCHEMBL4384437 0.81 MAPK14 (0.57) MAPK14
SCHEMBL3525586 0.78 MAPK14 (0.47) MAPK14ALDH1A1MAPT
SCHEMBL3523709 0.76 MAPK14 (0.48) MAPK14ALDH1A1PKM
SCHEMBL3522952 0.76 MAPK14 (0.46) MAPK14PTGER1PKM
SCHEMBL3522590 0.75 MAPK14 (0.56) MAPK14
SCHEMBL3518538 0.75 PKM (0.52) MAPK14GRIN1GRIN2BALDH1A1MAPT
SCHEMBL14577968 0.74 MAPK14 (0.60) 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 MAPK14 38/4885ADORA2A 838/4885ADORA1 908/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ADORA2A 1402/4885ADORA1 1252/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ADORA2A 838/4885ADORA1 908/4885

“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.