SCHEMBL4872328

SCHEMBL4872328

FC(F)Oc1ccc(Nc2ncnc3c2CCN(Cc2ccccc2)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.50
FAAH O00519 3/20 0.46
AR P10275 2/20 0.44
BRS3 P32247 1/20 0.41
TRPV1 Q8NER1 2/20 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
SCHEMBL2849686 0.92 MKNK1 (0.48) MKNK1FAAHBRS3TRPV1
SCHEMBL4864601 0.86 MKNK1 (0.57) MKNK1FAAHBRS3
SCHEMBL4871319 0.86 MKNK1 (0.55) MKNK1FAAHBRS3TRPV1
SCHEMBL4868405 0.83 TRPV1 (0.59) MKNK1FAAHTRPV1
SCHEMBL4866606 0.81 TRPV1 (0.55) MKNK1FAAHTRPV1
SCHEMBL6001408 0.80 MKNK1 (0.52) MKNK1FAAHBRS3TRPV1
SCHEMBL4870103 0.79 FAAH (0.53) MKNK1FAAHTRPV1
SCHEMBL4872158 0.78 FAAH (0.73) MKNK1FAAHTRPV1
SCHEMBL4990763 0.78 LIMK1 (0.43) BRS3
SCHEMBL2845073 0.78 MKNK1 (0.54) MKNK1FAAHBRS3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7414131-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-08-19 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312330-B2 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2007-12-25 US disclosed
WO-2006118598-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2006-11-09 WO disclosed
EP-1697361-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF Renovis, Inc. (US) 2006-09-06 EP disclosed
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof EVOTEC AG (DE) 2005-12-15 US disclosed
US-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction EVOTEC AG (DE) 2005-09-29 US disclosed
WO-2005066171-A1 BICYCLOHETEROARYLAMINE COMPOUNDS AS ION CHANNEL LIGANDS AND USES THEREOF RENOVIS, INC. (US) 2005-07-21 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 (2 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-20050215572-A1 N-(4-tert-Butyl-phenyl)-[7-(3-chloro-pyridin-2-yl)-2-methoxymethyl-5,6,7,8-tetrahydro-pyrido[3,4-d]pyrimidin-4-yl]-amine; antiinflammatory agents treating pain, inflammation, traumatic injury, arthritis, Parkinson's disease, Alzheimer's disease, stroke, asthma, myocardial infarction PARK7, PTGIS, PTGES MKNK1 1430/4885FAAH 207/4885AR 2762/4885
US-20050277643-A1 Bicycloheteroarylamine compounds as ion channel ligands and uses thereof TRPV1, TRPV3, TRPA1 MKNK1 1554/4885FAAH 334/4885AR 2674/4885

“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.